USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 552 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 LYS NZ :NH3+ -150:sc= 1.19 (180deg=0) USER MOD Set 1.2: A 68 GLN : amide:sc= -0.069 K(o=1.1,f=-11!) USER MOD Set 2.1: A 33 LYS NZ :NH3+ 161:sc= 0.292 (180deg=-0.158) USER MOD Set 2.2: A 66 TYR OH : rot -30:sc= 0.721 USER MOD Set 3.1: A 6 CYS SG : rot -139:sc= 0.95 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.936 USER MOD Single : A 2 THR OG1 : rot 30:sc= 0.181 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.36 K(o=0.36,f=-1.2) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0441 USER MOD Single : A 20 LYS NZ :NH3+ -163:sc= -0.0383 (180deg=-0.378) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 110:sc= -1.08 USER MOD Single : A 27 GLN : amide:sc= -2.16 K(o=-2.2,f=-2.9!) USER MOD Single : A 29 MET CE :methyl -147:sc= -1.34 (180deg=-4.07) USER MOD Single : A 32 THR OG1 : rot -83:sc= 1.29 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -90:sc= 1.22 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -172:sc= 1.27 (180deg=1.08) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.236 K(o=0.24,f=-2!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 83:sc= -0.611! USER MOD ----------------------------------------------------------------- ATOM 38 N THR A 2 -6.056 -1.978 -22.711 1.00 25.45 N ATOM 39 CA THR A 2 -6.072 -1.174 -21.532 1.00 1.14 C ATOM 40 C THR A 2 -6.995 -1.790 -20.483 1.00 1.24 C ATOM 41 O THR A 2 -8.201 -1.937 -20.704 1.00 53.35 O ATOM 42 CB THR A 2 -6.526 0.254 -21.872 1.00 44.31 C ATOM 43 OG1 THR A 2 -5.664 0.771 -22.898 1.00 52.42 O ATOM 44 CG2 THR A 2 -6.449 1.159 -20.652 1.00 15.14 C ATOM 0 HA THR A 2 -5.063 -1.132 -21.123 1.00 1.14 H new ATOM 0 HB THR A 2 -7.562 0.226 -22.210 1.00 44.31 H new ATOM 0 HG1 THR A 2 -5.343 0.034 -23.458 1.00 52.42 H new ATOM 0 HG21 THR A 2 -6.776 2.163 -20.922 1.00 15.14 H new ATOM 0 HG22 THR A 2 -7.095 0.766 -19.866 1.00 15.14 H new ATOM 0 HG23 THR A 2 -5.421 1.197 -20.292 1.00 15.14 H new ATOM 52 N VAL A 3 -6.430 -2.162 -19.366 1.00 1.15 N ATOM 53 CA VAL A 3 -7.196 -2.753 -18.291 1.00 24.11 C ATOM 54 C VAL A 3 -7.315 -1.723 -17.178 1.00 14.41 C ATOM 55 O VAL A 3 -6.355 -0.997 -16.910 1.00 70.34 O ATOM 56 CB VAL A 3 -6.497 -4.010 -17.715 1.00 62.43 C ATOM 57 CG1 VAL A 3 -7.398 -4.743 -16.778 1.00 11.35 C ATOM 58 CG2 VAL A 3 -6.004 -4.944 -18.785 1.00 32.41 C ATOM 0 H VAL A 3 -5.433 -2.067 -19.172 1.00 1.15 H new ATOM 0 HA VAL A 3 -8.170 -3.049 -18.680 1.00 24.11 H new ATOM 0 HB VAL A 3 -5.625 -3.649 -17.169 1.00 62.43 H new ATOM 0 HG11 VAL A 3 -6.882 -5.621 -16.389 1.00 11.35 H new ATOM 0 HG12 VAL A 3 -7.674 -4.088 -15.952 1.00 11.35 H new ATOM 0 HG13 VAL A 3 -8.297 -5.056 -17.308 1.00 11.35 H new ATOM 0 HG21 VAL A 3 -5.523 -5.806 -18.322 1.00 32.41 H new ATOM 0 HG22 VAL A 3 -6.846 -5.280 -19.391 1.00 32.41 H new ATOM 0 HG23 VAL A 3 -5.285 -4.424 -19.418 1.00 32.41 H new ATOM 68 N TYR A 4 -8.471 -1.631 -16.559 1.00 44.44 N ATOM 69 CA TYR A 4 -8.670 -0.689 -15.483 1.00 41.31 C ATOM 70 C TYR A 4 -8.643 -1.404 -14.128 1.00 50.14 C ATOM 71 O TYR A 4 -9.264 -2.458 -13.955 1.00 73.52 O ATOM 72 CB TYR A 4 -9.989 0.054 -15.685 1.00 22.55 C ATOM 73 CG TYR A 4 -10.068 0.787 -17.013 1.00 71.25 C ATOM 74 CD1 TYR A 4 -10.478 0.127 -18.164 1.00 13.44 C ATOM 75 CD2 TYR A 4 -9.736 2.124 -17.115 1.00 73.13 C ATOM 76 CE1 TYR A 4 -10.552 0.774 -19.368 1.00 33.41 C ATOM 77 CE2 TYR A 4 -9.812 2.785 -18.324 1.00 45.25 C ATOM 78 CZ TYR A 4 -10.220 2.101 -19.448 1.00 41.50 C ATOM 79 OH TYR A 4 -10.297 2.747 -20.653 1.00 31.22 O ATOM 0 H TYR A 4 -9.288 -2.199 -16.784 1.00 44.44 H new ATOM 0 HA TYR A 4 -7.857 0.037 -15.491 1.00 41.31 H new ATOM 0 HB2 TYR A 4 -10.812 -0.657 -15.621 1.00 22.55 H new ATOM 0 HB3 TYR A 4 -10.123 0.770 -14.874 1.00 22.55 H new ATOM 0 HD1 TYR A 4 -10.744 -0.918 -18.108 1.00 13.44 H new ATOM 0 HD2 TYR A 4 -9.412 2.660 -16.235 1.00 73.13 H new ATOM 0 HE1 TYR A 4 -10.871 0.241 -20.251 1.00 33.41 H new ATOM 0 HE2 TYR A 4 -9.553 3.832 -18.389 1.00 45.25 H new ATOM 0 HH TYR A 4 -10.029 3.683 -20.540 1.00 31.22 H new ATOM 89 N ILE A 5 -7.911 -0.840 -13.188 1.00 31.41 N ATOM 90 CA ILE A 5 -7.765 -1.404 -11.851 1.00 43.35 C ATOM 91 C ILE A 5 -8.344 -0.430 -10.823 1.00 61.51 C ATOM 92 O ILE A 5 -7.896 0.702 -10.724 1.00 55.32 O ATOM 93 CB ILE A 5 -6.255 -1.603 -11.412 1.00 31.14 C ATOM 94 CG1 ILE A 5 -5.390 -2.516 -12.300 1.00 41.11 C ATOM 95 CG2 ILE A 5 -6.181 -2.132 -9.991 1.00 23.24 C ATOM 96 CD1 ILE A 5 -5.215 -2.131 -13.755 1.00 54.03 C ATOM 0 H ILE A 5 -7.395 0.029 -13.326 1.00 31.41 H new ATOM 0 HA ILE A 5 -8.274 -2.367 -11.885 1.00 43.35 H new ATOM 0 HB ILE A 5 -5.835 -0.602 -11.513 1.00 31.14 H new ATOM 0 HG12 ILE A 5 -4.399 -2.580 -11.849 1.00 41.11 H new ATOM 0 HG13 ILE A 5 -5.819 -3.517 -12.268 1.00 41.11 H new ATOM 0 HG21 ILE A 5 -5.137 -2.263 -9.705 1.00 23.24 H new ATOM 0 HG22 ILE A 5 -6.656 -1.423 -9.313 1.00 23.24 H new ATOM 0 HG23 ILE A 5 -6.696 -3.091 -9.932 1.00 23.24 H new ATOM 0 HD11 ILE A 5 -4.583 -2.866 -14.252 1.00 54.03 H new ATOM 0 HD12 ILE A 5 -6.189 -2.101 -14.243 1.00 54.03 H new ATOM 0 HD13 ILE A 5 -4.747 -1.148 -13.818 1.00 54.03 H new ATOM 108 N CYS A 6 -9.316 -0.849 -10.103 1.00 3.34 N ATOM 109 CA CYS A 6 -9.792 -0.107 -8.980 1.00 72.12 C ATOM 110 C CYS A 6 -9.777 -1.029 -7.780 1.00 41.22 C ATOM 111 O CYS A 6 -10.713 -1.808 -7.585 1.00 34.03 O ATOM 112 CB CYS A 6 -11.187 0.486 -9.206 1.00 3.51 C ATOM 113 SG CYS A 6 -11.830 1.449 -7.814 1.00 23.41 S ATOM 0 H CYS A 6 -9.813 -1.723 -10.271 1.00 3.34 H new ATOM 0 HA CYS A 6 -9.138 0.749 -8.817 1.00 72.12 H new ATOM 0 HB2 CYS A 6 -11.158 1.124 -10.089 1.00 3.51 H new ATOM 0 HB3 CYS A 6 -11.882 -0.326 -9.422 1.00 3.51 H new ATOM 0 HG CYS A 6 -13.094 1.191 -7.655 1.00 23.41 H new ATOM 119 N PRO A 7 -8.698 -1.001 -6.970 1.00 21.02 N ATOM 120 CA PRO A 7 -8.554 -1.878 -5.783 1.00 44.02 C ATOM 121 C PRO A 7 -9.545 -1.537 -4.665 1.00 53.32 C ATOM 122 O PRO A 7 -9.482 -2.105 -3.564 1.00 72.42 O ATOM 123 CB PRO A 7 -7.118 -1.606 -5.301 1.00 23.54 C ATOM 124 CG PRO A 7 -6.447 -0.905 -6.431 1.00 71.34 C ATOM 125 CD PRO A 7 -7.518 -0.140 -7.145 1.00 24.51 C ATOM 0 HA PRO A 7 -8.753 -2.919 -6.038 1.00 44.02 H new ATOM 0 HB2 PRO A 7 -7.116 -0.992 -4.401 1.00 23.54 H new ATOM 0 HB3 PRO A 7 -6.604 -2.535 -5.054 1.00 23.54 H new ATOM 0 HG2 PRO A 7 -5.668 -0.235 -6.066 1.00 71.34 H new ATOM 0 HG3 PRO A 7 -5.966 -1.618 -7.101 1.00 71.34 H new ATOM 0 HD2 PRO A 7 -7.669 0.848 -6.710 1.00 24.51 H new ATOM 0 HD3 PRO A 7 -7.277 0.009 -8.198 1.00 24.51 H new ATOM 133 N GLU A 8 -10.436 -0.623 -4.946 1.00 11.53 N ATOM 134 CA GLU A 8 -11.408 -0.181 -3.997 1.00 42.43 C ATOM 135 C GLU A 8 -12.739 -0.878 -4.256 1.00 3.41 C ATOM 136 O GLU A 8 -13.173 -1.737 -3.488 1.00 43.33 O ATOM 137 CB GLU A 8 -11.620 1.321 -4.145 1.00 31.33 C ATOM 138 CG GLU A 8 -10.352 2.140 -4.125 1.00 23.33 C ATOM 139 CD GLU A 8 -9.580 2.017 -2.832 1.00 41.24 C ATOM 140 OE1 GLU A 8 -9.977 2.655 -1.836 1.00 70.52 O ATOM 141 OE2 GLU A 8 -8.560 1.306 -2.796 1.00 62.51 O ATOM 0 H GLU A 8 -10.503 -0.162 -5.854 1.00 11.53 H new ATOM 0 HA GLU A 8 -11.051 -0.417 -2.994 1.00 42.43 H new ATOM 0 HB2 GLU A 8 -12.144 1.510 -5.082 1.00 31.33 H new ATOM 0 HB3 GLU A 8 -12.271 1.664 -3.341 1.00 31.33 H new ATOM 0 HG2 GLU A 8 -9.714 1.829 -4.952 1.00 23.33 H new ATOM 0 HG3 GLU A 8 -10.602 3.188 -4.292 1.00 23.33 H new ATOM 148 N THR A 9 -13.359 -0.524 -5.361 1.00 72.10 N ATOM 149 CA THR A 9 -14.680 -0.991 -5.683 1.00 2.41 C ATOM 150 C THR A 9 -14.696 -2.118 -6.715 1.00 33.32 C ATOM 151 O THR A 9 -15.733 -2.774 -6.910 1.00 33.21 O ATOM 152 CB THR A 9 -15.534 0.184 -6.164 1.00 44.44 C ATOM 153 OG1 THR A 9 -14.836 0.869 -7.227 1.00 5.12 O ATOM 154 CG2 THR A 9 -15.788 1.152 -5.018 1.00 70.01 C ATOM 0 H THR A 9 -12.955 0.098 -6.061 1.00 72.10 H new ATOM 0 HA THR A 9 -15.098 -1.415 -4.770 1.00 2.41 H new ATOM 0 HB THR A 9 -16.491 -0.191 -6.527 1.00 44.44 H new ATOM 0 HG1 THR A 9 -15.378 1.623 -7.542 1.00 5.12 H new ATOM 0 HG21 THR A 9 -16.397 1.984 -5.373 1.00 70.01 H new ATOM 0 HG22 THR A 9 -16.313 0.635 -4.215 1.00 70.01 H new ATOM 0 HG23 THR A 9 -14.837 1.532 -4.645 1.00 70.01 H new ATOM 162 N GLY A 10 -13.576 -2.358 -7.374 1.00 0.44 N ATOM 163 CA GLY A 10 -13.555 -3.430 -8.350 1.00 42.24 C ATOM 164 C GLY A 10 -13.044 -4.706 -7.734 1.00 23.22 C ATOM 165 O GLY A 10 -12.890 -4.792 -6.510 1.00 64.32 O ATOM 0 H GLY A 10 -12.701 -1.847 -7.258 1.00 0.44 H new ATOM 0 HA2 GLY A 10 -14.559 -3.588 -8.744 1.00 42.24 H new ATOM 0 HA3 GLY A 10 -12.922 -3.149 -9.192 1.00 42.24 H new ATOM 169 N ASP A 11 -12.756 -5.669 -8.555 1.00 10.54 N ATOM 170 CA ASP A 11 -12.335 -6.978 -8.120 1.00 40.12 C ATOM 171 C ASP A 11 -11.712 -7.698 -9.281 1.00 31.52 C ATOM 172 O ASP A 11 -12.010 -7.395 -10.439 1.00 12.25 O ATOM 173 CB ASP A 11 -13.500 -7.806 -7.520 1.00 72.24 C ATOM 174 CG ASP A 11 -14.593 -8.153 -8.491 1.00 25.42 C ATOM 175 OD1 ASP A 11 -14.488 -9.216 -9.144 1.00 21.24 O ATOM 176 OD2 ASP A 11 -15.582 -7.392 -8.591 1.00 64.35 O ATOM 0 H ASP A 11 -12.806 -5.571 -9.569 1.00 10.54 H new ATOM 0 HA ASP A 11 -11.604 -6.855 -7.321 1.00 40.12 H new ATOM 0 HB2 ASP A 11 -13.095 -8.729 -7.106 1.00 72.24 H new ATOM 0 HB3 ASP A 11 -13.934 -7.248 -6.690 1.00 72.24 H new ATOM 181 N ASP A 12 -10.838 -8.627 -8.998 1.00 65.31 N ATOM 182 CA ASP A 12 -10.109 -9.362 -10.049 1.00 4.03 C ATOM 183 C ASP A 12 -10.967 -10.420 -10.773 1.00 71.50 C ATOM 184 O ASP A 12 -10.471 -11.136 -11.646 1.00 64.23 O ATOM 185 CB ASP A 12 -8.820 -9.992 -9.499 1.00 61.53 C ATOM 186 CG ASP A 12 -9.058 -11.030 -8.439 1.00 1.34 C ATOM 187 OD1 ASP A 12 -9.497 -10.662 -7.337 1.00 11.11 O ATOM 188 OD2 ASP A 12 -8.759 -12.213 -8.676 1.00 70.44 O ATOM 0 H ASP A 12 -10.598 -8.909 -8.047 1.00 65.31 H new ATOM 0 HA ASP A 12 -9.845 -8.616 -10.799 1.00 4.03 H new ATOM 0 HB2 ASP A 12 -8.269 -10.446 -10.322 1.00 61.53 H new ATOM 0 HB3 ASP A 12 -8.188 -9.205 -9.088 1.00 61.53 H new ATOM 193 N GLY A 13 -12.243 -10.491 -10.455 1.00 33.51 N ATOM 194 CA GLY A 13 -13.112 -11.441 -11.127 1.00 42.24 C ATOM 195 C GLY A 13 -13.831 -10.792 -12.293 1.00 51.13 C ATOM 196 O GLY A 13 -14.605 -11.437 -13.006 1.00 1.32 O ATOM 0 H GLY A 13 -12.698 -9.914 -9.748 1.00 33.51 H new ATOM 0 HA2 GLY A 13 -12.524 -12.287 -11.483 1.00 42.24 H new ATOM 0 HA3 GLY A 13 -13.842 -11.835 -10.419 1.00 42.24 H new ATOM 200 N ASN A 14 -13.571 -9.515 -12.473 1.00 1.11 N ATOM 201 CA ASN A 14 -14.187 -8.713 -13.527 1.00 60.32 C ATOM 202 C ASN A 14 -13.441 -8.794 -14.843 1.00 13.55 C ATOM 203 O ASN A 14 -12.389 -9.429 -14.944 1.00 61.23 O ATOM 204 CB ASN A 14 -14.283 -7.253 -13.090 1.00 62.34 C ATOM 205 CG ASN A 14 -15.312 -7.034 -12.020 1.00 44.34 C ATOM 206 OD1 ASN A 14 -16.337 -7.716 -11.983 1.00 42.22 O ATOM 207 ND2 ASN A 14 -15.058 -6.106 -11.145 1.00 62.34 N ATOM 0 H ASN A 14 -12.919 -8.991 -11.889 1.00 1.11 H new ATOM 0 HA ASN A 14 -15.182 -9.126 -13.690 1.00 60.32 H new ATOM 0 HB2 ASN A 14 -13.310 -6.923 -12.726 1.00 62.34 H new ATOM 0 HB3 ASN A 14 -14.526 -6.635 -13.954 1.00 62.34 H new ATOM 0 HD21 ASN A 14 -15.720 -5.920 -10.392 1.00 62.34 H new ATOM 0 HD22 ASN A 14 -14.197 -5.564 -11.212 1.00 62.34 H new ATOM 214 N ASP A 15 -14.004 -8.129 -15.850 1.00 5.44 N ATOM 215 CA ASP A 15 -13.422 -8.050 -17.201 1.00 45.12 C ATOM 216 C ASP A 15 -12.273 -7.071 -17.237 1.00 42.50 C ATOM 217 O ASP A 15 -11.475 -7.068 -18.176 1.00 14.41 O ATOM 218 CB ASP A 15 -14.468 -7.569 -18.221 1.00 51.11 C ATOM 219 CG ASP A 15 -15.617 -8.516 -18.436 1.00 20.42 C ATOM 220 OD1 ASP A 15 -16.550 -8.532 -17.608 1.00 52.34 O ATOM 221 OD2 ASP A 15 -15.618 -9.234 -19.450 1.00 14.51 O ATOM 0 H ASP A 15 -14.885 -7.623 -15.757 1.00 5.44 H new ATOM 0 HA ASP A 15 -13.075 -9.052 -17.455 1.00 45.12 H new ATOM 0 HB2 ASP A 15 -14.863 -6.609 -17.890 1.00 51.11 H new ATOM 0 HB3 ASP A 15 -13.972 -7.398 -19.176 1.00 51.11 H new ATOM 226 N GLY A 16 -12.193 -6.238 -16.221 1.00 2.13 N ATOM 227 CA GLY A 16 -11.198 -5.196 -16.190 1.00 2.02 C ATOM 228 C GLY A 16 -11.565 -4.019 -17.056 1.00 64.33 C ATOM 229 O GLY A 16 -10.690 -3.309 -17.574 1.00 14.14 O ATOM 0 H GLY A 16 -12.807 -6.265 -15.407 1.00 2.13 H new ATOM 0 HA2 GLY A 16 -11.063 -4.858 -15.163 1.00 2.02 H new ATOM 0 HA3 GLY A 16 -10.242 -5.602 -16.521 1.00 2.02 H new ATOM 233 N SER A 17 -12.844 -3.818 -17.205 1.00 24.43 N ATOM 234 CA SER A 17 -13.383 -2.734 -17.972 1.00 0.42 C ATOM 235 C SER A 17 -13.367 -1.476 -17.096 1.00 61.10 C ATOM 236 O SER A 17 -13.056 -1.556 -15.911 1.00 71.44 O ATOM 237 CB SER A 17 -14.817 -3.097 -18.396 1.00 20.51 C ATOM 238 OG SER A 17 -15.408 -2.086 -19.179 1.00 54.24 O ATOM 0 H SER A 17 -13.555 -4.417 -16.787 1.00 24.43 H new ATOM 0 HA SER A 17 -12.794 -2.548 -18.870 1.00 0.42 H new ATOM 0 HB2 SER A 17 -14.803 -4.030 -18.959 1.00 20.51 H new ATOM 0 HB3 SER A 17 -15.425 -3.270 -17.508 1.00 20.51 H new ATOM 0 HG SER A 17 -16.317 -2.355 -19.429 1.00 54.24 H new ATOM 244 N GLU A 18 -13.707 -0.328 -17.656 1.00 15.21 N ATOM 245 CA GLU A 18 -13.707 0.894 -16.894 1.00 10.51 C ATOM 246 C GLU A 18 -14.863 0.846 -15.878 1.00 34.15 C ATOM 247 O GLU A 18 -14.783 1.401 -14.779 1.00 1.22 O ATOM 248 CB GLU A 18 -13.863 2.094 -17.834 1.00 65.20 C ATOM 249 CG GLU A 18 -13.726 3.429 -17.152 1.00 41.24 C ATOM 250 CD GLU A 18 -13.879 4.605 -18.092 1.00 11.42 C ATOM 251 OE1 GLU A 18 -15.019 5.038 -18.329 1.00 63.25 O ATOM 252 OE2 GLU A 18 -12.856 5.130 -18.590 1.00 60.33 O ATOM 0 H GLU A 18 -13.984 -0.223 -18.632 1.00 15.21 H new ATOM 0 HA GLU A 18 -12.763 1.001 -16.360 1.00 10.51 H new ATOM 0 HB2 GLU A 18 -13.115 2.023 -18.624 1.00 65.20 H new ATOM 0 HB3 GLU A 18 -14.840 2.042 -18.314 1.00 65.20 H new ATOM 0 HG2 GLU A 18 -14.475 3.504 -16.364 1.00 41.24 H new ATOM 0 HG3 GLU A 18 -12.750 3.484 -16.670 1.00 41.24 H new ATOM 259 N LEU A 19 -15.925 0.153 -16.256 1.00 22.53 N ATOM 260 CA LEU A 19 -17.076 0.003 -15.400 1.00 1.21 C ATOM 261 C LEU A 19 -16.939 -1.218 -14.498 1.00 11.11 C ATOM 262 O LEU A 19 -17.646 -1.349 -13.499 1.00 24.43 O ATOM 263 CB LEU A 19 -18.340 -0.081 -16.215 1.00 24.11 C ATOM 264 CG LEU A 19 -18.622 1.129 -17.102 1.00 40.23 C ATOM 265 CD1 LEU A 19 -19.962 0.982 -17.723 1.00 4.21 C ATOM 266 CD2 LEU A 19 -18.537 2.438 -16.316 1.00 12.24 C ATOM 0 H LEU A 19 -16.007 -0.315 -17.158 1.00 22.53 H new ATOM 0 HA LEU A 19 -17.133 0.886 -14.763 1.00 1.21 H new ATOM 0 HB2 LEU A 19 -18.289 -0.969 -16.845 1.00 24.11 H new ATOM 0 HB3 LEU A 19 -19.182 -0.219 -15.537 1.00 24.11 H new ATOM 0 HG LEU A 19 -17.860 1.170 -17.880 1.00 40.23 H new ATOM 0 HD11 LEU A 19 -20.166 1.845 -18.357 1.00 4.21 H new ATOM 0 HD12 LEU A 19 -19.986 0.075 -18.326 1.00 4.21 H new ATOM 0 HD13 LEU A 19 -20.720 0.918 -16.942 1.00 4.21 H new ATOM 0 HD21 LEU A 19 -18.744 3.276 -16.982 1.00 12.24 H new ATOM 0 HD22 LEU A 19 -19.270 2.426 -15.509 1.00 12.24 H new ATOM 0 HD23 LEU A 19 -17.537 2.546 -15.896 1.00 12.24 H new ATOM 278 N LYS A 20 -16.008 -2.096 -14.842 1.00 74.31 N ATOM 279 CA LYS A 20 -15.734 -3.317 -14.057 1.00 41.12 C ATOM 280 C LYS A 20 -14.262 -3.434 -13.863 1.00 11.15 C ATOM 281 O LYS A 20 -13.614 -4.258 -14.507 1.00 74.23 O ATOM 282 CB LYS A 20 -16.209 -4.580 -14.776 1.00 51.53 C ATOM 283 CG LYS A 20 -17.667 -4.569 -15.192 1.00 45.23 C ATOM 284 CD LYS A 20 -18.046 -5.864 -15.888 1.00 73.11 C ATOM 285 CE LYS A 20 -19.526 -5.904 -16.225 1.00 62.02 C ATOM 286 NZ LYS A 20 -20.374 -5.808 -15.011 1.00 70.54 N ATOM 0 H LYS A 20 -15.417 -1.994 -15.667 1.00 74.31 H new ATOM 0 HA LYS A 20 -16.268 -3.232 -13.111 1.00 41.12 H new ATOM 0 HB2 LYS A 20 -15.594 -4.728 -15.664 1.00 51.53 H new ATOM 0 HB3 LYS A 20 -16.039 -5.437 -14.124 1.00 51.53 H new ATOM 0 HG2 LYS A 20 -18.298 -4.426 -14.315 1.00 45.23 H new ATOM 0 HG3 LYS A 20 -17.852 -3.727 -15.858 1.00 45.23 H new ATOM 0 HD2 LYS A 20 -17.461 -5.972 -16.801 1.00 73.11 H new ATOM 0 HD3 LYS A 20 -17.795 -6.709 -15.247 1.00 73.11 H new ATOM 0 HE2 LYS A 20 -19.766 -5.084 -16.901 1.00 62.02 H new ATOM 0 HE3 LYS A 20 -19.753 -6.830 -16.754 1.00 62.02 H new ATOM 0 HZ1 LYS A 20 -21.339 -6.122 -15.236 1.00 70.54 H new ATOM 0 HZ2 LYS A 20 -19.979 -6.413 -14.263 1.00 70.54 H new ATOM 0 HZ3 LYS A 20 -20.399 -4.822 -14.682 1.00 70.54 H new ATOM 300 N PRO A 21 -13.694 -2.607 -13.024 1.00 34.12 N ATOM 301 CA PRO A 21 -12.276 -2.598 -12.826 1.00 3.32 C ATOM 302 C PRO A 21 -11.805 -3.790 -12.014 1.00 22.34 C ATOM 303 O PRO A 21 -12.574 -4.392 -11.230 1.00 32.43 O ATOM 304 CB PRO A 21 -12.028 -1.293 -12.087 1.00 22.35 C ATOM 305 CG PRO A 21 -13.300 -1.016 -11.363 1.00 22.21 C ATOM 306 CD PRO A 21 -14.388 -1.600 -12.189 1.00 55.44 C ATOM 0 HA PRO A 21 -11.727 -2.669 -13.765 1.00 3.32 H new ATOM 0 HB2 PRO A 21 -11.191 -1.384 -11.395 1.00 22.35 H new ATOM 0 HB3 PRO A 21 -11.784 -0.487 -12.779 1.00 22.35 H new ATOM 0 HG2 PRO A 21 -13.286 -1.461 -10.368 1.00 22.21 H new ATOM 0 HG3 PRO A 21 -13.446 0.056 -11.230 1.00 22.21 H new ATOM 0 HD2 PRO A 21 -15.160 -2.057 -11.569 1.00 55.44 H new ATOM 0 HD3 PRO A 21 -14.877 -0.842 -12.800 1.00 55.44 H new ATOM 314 N LEU A 22 -10.569 -4.151 -12.217 1.00 23.32 N ATOM 315 CA LEU A 22 -9.961 -5.222 -11.485 1.00 61.23 C ATOM 316 C LEU A 22 -9.453 -4.684 -10.192 1.00 44.41 C ATOM 317 O LEU A 22 -9.524 -3.497 -9.955 1.00 72.53 O ATOM 318 CB LEU A 22 -8.816 -5.824 -12.273 1.00 71.24 C ATOM 319 CG LEU A 22 -9.179 -6.392 -13.624 1.00 75.12 C ATOM 320 CD1 LEU A 22 -7.962 -6.932 -14.299 1.00 52.53 C ATOM 321 CD2 LEU A 22 -10.243 -7.464 -13.498 1.00 21.24 C ATOM 0 H LEU A 22 -9.953 -3.707 -12.899 1.00 23.32 H new ATOM 0 HA LEU A 22 -10.700 -6.003 -11.306 1.00 61.23 H new ATOM 0 HB2 LEU A 22 -8.054 -5.058 -12.414 1.00 71.24 H new ATOM 0 HB3 LEU A 22 -8.365 -6.616 -11.676 1.00 71.24 H new ATOM 0 HG LEU A 22 -9.590 -5.588 -14.234 1.00 75.12 H new ATOM 0 HD11 LEU A 22 -8.236 -7.339 -15.272 1.00 52.53 H new ATOM 0 HD12 LEU A 22 -7.234 -6.131 -14.432 1.00 52.53 H new ATOM 0 HD13 LEU A 22 -7.526 -7.721 -13.686 1.00 52.53 H new ATOM 0 HD21 LEU A 22 -10.485 -7.855 -14.486 1.00 21.24 H new ATOM 0 HD22 LEU A 22 -9.872 -8.273 -12.869 1.00 21.24 H new ATOM 0 HD23 LEU A 22 -11.139 -7.036 -13.048 1.00 21.24 H new ATOM 333 N ARG A 23 -8.944 -5.523 -9.359 1.00 53.10 N ATOM 334 CA ARG A 23 -8.458 -5.043 -8.100 1.00 71.04 C ATOM 335 C ARG A 23 -6.921 -5.021 -8.055 1.00 53.14 C ATOM 336 O ARG A 23 -6.330 -4.278 -7.280 1.00 62.10 O ATOM 337 CB ARG A 23 -9.039 -5.858 -6.949 1.00 22.12 C ATOM 338 CG ARG A 23 -8.522 -7.273 -6.824 1.00 33.01 C ATOM 339 CD ARG A 23 -9.002 -7.914 -5.539 1.00 40.21 C ATOM 340 NE ARG A 23 -8.428 -9.244 -5.363 1.00 65.34 N ATOM 341 CZ ARG A 23 -7.595 -9.595 -4.373 1.00 61.01 C ATOM 342 NH1 ARG A 23 -7.190 -8.692 -3.480 1.00 35.31 N ATOM 343 NH2 ARG A 23 -7.150 -10.836 -4.299 1.00 63.15 N ATOM 0 H ARG A 23 -8.851 -6.527 -9.515 1.00 53.10 H new ATOM 0 HA ARG A 23 -8.795 -4.013 -7.985 1.00 71.04 H new ATOM 0 HB2 ARG A 23 -8.835 -5.332 -6.016 1.00 22.12 H new ATOM 0 HB3 ARG A 23 -10.122 -5.895 -7.064 1.00 22.12 H new ATOM 0 HG2 ARG A 23 -8.858 -7.863 -7.677 1.00 33.01 H new ATOM 0 HG3 ARG A 23 -7.432 -7.269 -6.848 1.00 33.01 H new ATOM 0 HD2 ARG A 23 -8.731 -7.284 -4.692 1.00 40.21 H new ATOM 0 HD3 ARG A 23 -10.090 -7.983 -5.549 1.00 40.21 H new ATOM 0 HE ARG A 23 -8.679 -9.960 -6.044 1.00 65.34 H new ATOM 0 HH11 ARG A 23 -7.514 -7.727 -3.547 1.00 35.31 H new ATOM 0 HH12 ARG A 23 -6.556 -8.966 -2.729 1.00 35.31 H new ATOM 0 HH21 ARG A 23 -7.440 -11.524 -4.994 1.00 63.15 H new ATOM 0 HH22 ARG A 23 -6.516 -11.106 -3.547 1.00 63.15 H new ATOM 357 N THR A 24 -6.281 -5.822 -8.900 1.00 52.41 N ATOM 358 CA THR A 24 -4.830 -5.901 -8.924 1.00 41.52 C ATOM 359 C THR A 24 -4.297 -5.959 -10.360 1.00 23.44 C ATOM 360 O THR A 24 -4.999 -6.416 -11.282 1.00 23.12 O ATOM 361 CB THR A 24 -4.321 -7.158 -8.155 1.00 72.51 C ATOM 362 OG1 THR A 24 -5.009 -8.335 -8.625 1.00 3.30 O ATOM 363 CG2 THR A 24 -4.484 -7.020 -6.646 1.00 51.23 C ATOM 0 H THR A 24 -6.747 -6.425 -9.577 1.00 52.41 H new ATOM 0 HA THR A 24 -4.460 -4.999 -8.436 1.00 41.52 H new ATOM 0 HB THR A 24 -3.254 -7.253 -8.355 1.00 72.51 H new ATOM 0 HG1 THR A 24 -4.683 -9.121 -8.139 1.00 3.30 H new ATOM 0 HG21 THR A 24 -4.115 -7.921 -6.156 1.00 51.23 H new ATOM 0 HG22 THR A 24 -3.916 -6.158 -6.296 1.00 51.23 H new ATOM 0 HG23 THR A 24 -5.538 -6.882 -6.405 1.00 51.23 H new ATOM 371 N LEU A 25 -3.056 -5.501 -10.543 1.00 15.11 N ATOM 372 CA LEU A 25 -2.350 -5.586 -11.831 1.00 21.31 C ATOM 373 C LEU A 25 -2.058 -7.019 -12.170 1.00 42.22 C ATOM 374 O LEU A 25 -1.828 -7.358 -13.325 1.00 44.04 O ATOM 375 CB LEU A 25 -1.052 -4.818 -11.782 1.00 60.33 C ATOM 376 CG LEU A 25 -1.185 -3.335 -11.623 1.00 62.53 C ATOM 377 CD1 LEU A 25 0.165 -2.716 -11.321 1.00 54.20 C ATOM 378 CD2 LEU A 25 -1.764 -2.743 -12.892 1.00 41.01 C ATOM 0 H LEU A 25 -2.509 -5.060 -9.804 1.00 15.11 H new ATOM 0 HA LEU A 25 -2.994 -5.151 -12.595 1.00 21.31 H new ATOM 0 HB2 LEU A 25 -0.454 -5.202 -10.956 1.00 60.33 H new ATOM 0 HB3 LEU A 25 -0.496 -5.019 -12.698 1.00 60.33 H new ATOM 0 HG LEU A 25 -1.854 -3.121 -10.790 1.00 62.53 H new ATOM 0 HD11 LEU A 25 0.054 -1.638 -11.208 1.00 54.20 H new ATOM 0 HD12 LEU A 25 0.561 -3.139 -10.398 1.00 54.20 H new ATOM 0 HD13 LEU A 25 0.853 -2.926 -12.140 1.00 54.20 H new ATOM 0 HD21 LEU A 25 -1.862 -1.663 -12.778 1.00 41.01 H new ATOM 0 HD22 LEU A 25 -1.102 -2.961 -13.730 1.00 41.01 H new ATOM 0 HD23 LEU A 25 -2.745 -3.178 -13.082 1.00 41.01 H new ATOM 390 N TYR A 26 -2.072 -7.848 -11.145 1.00 5.05 N ATOM 391 CA TYR A 26 -1.872 -9.274 -11.288 1.00 54.45 C ATOM 392 C TYR A 26 -2.919 -9.835 -12.265 1.00 41.13 C ATOM 393 O TYR A 26 -2.584 -10.560 -13.192 1.00 13.03 O ATOM 394 CB TYR A 26 -2.017 -9.953 -9.901 1.00 52.14 C ATOM 395 CG TYR A 26 -1.701 -11.438 -9.894 1.00 14.44 C ATOM 396 CD1 TYR A 26 -2.669 -12.394 -10.186 1.00 35.01 C ATOM 397 CD2 TYR A 26 -0.428 -11.881 -9.606 1.00 12.45 C ATOM 398 CE1 TYR A 26 -2.356 -13.741 -10.194 1.00 30.22 C ATOM 399 CE2 TYR A 26 -0.120 -13.207 -9.608 1.00 62.00 C ATOM 400 CZ TYR A 26 -1.078 -14.138 -9.906 1.00 11.23 C ATOM 401 OH TYR A 26 -0.756 -15.470 -9.920 1.00 43.24 O ATOM 0 H TYR A 26 -2.224 -7.547 -10.182 1.00 5.05 H new ATOM 0 HA TYR A 26 -0.874 -9.474 -11.679 1.00 54.45 H new ATOM 0 HB2 TYR A 26 -1.358 -9.450 -9.193 1.00 52.14 H new ATOM 0 HB3 TYR A 26 -3.037 -9.809 -9.544 1.00 52.14 H new ATOM 0 HD1 TYR A 26 -3.678 -12.080 -10.409 1.00 35.01 H new ATOM 0 HD2 TYR A 26 0.342 -11.160 -9.374 1.00 12.45 H new ATOM 0 HE1 TYR A 26 -3.114 -14.474 -10.426 1.00 30.22 H new ATOM 0 HE2 TYR A 26 0.885 -13.526 -9.373 1.00 62.00 H new ATOM 0 HH TYR A 26 -0.174 -15.658 -10.686 1.00 43.24 H new ATOM 411 N GLN A 27 -4.177 -9.442 -12.078 1.00 5.34 N ATOM 412 CA GLN A 27 -5.251 -9.906 -12.945 1.00 30.53 C ATOM 413 C GLN A 27 -5.182 -9.230 -14.318 1.00 33.14 C ATOM 414 O GLN A 27 -5.478 -9.855 -15.334 1.00 40.03 O ATOM 415 CB GLN A 27 -6.621 -9.697 -12.289 1.00 32.14 C ATOM 416 CG GLN A 27 -7.804 -10.191 -13.133 1.00 30.13 C ATOM 417 CD GLN A 27 -7.731 -11.673 -13.436 1.00 41.11 C ATOM 418 OE1 GLN A 27 -7.205 -12.453 -12.653 1.00 31.22 O ATOM 419 NE2 GLN A 27 -8.248 -12.058 -14.573 1.00 34.54 N ATOM 0 H GLN A 27 -4.474 -8.807 -11.337 1.00 5.34 H new ATOM 0 HA GLN A 27 -5.118 -10.977 -13.097 1.00 30.53 H new ATOM 0 HB2 GLN A 27 -6.634 -10.212 -11.329 1.00 32.14 H new ATOM 0 HB3 GLN A 27 -6.755 -8.635 -12.083 1.00 32.14 H new ATOM 0 HG2 GLN A 27 -8.734 -9.978 -12.606 1.00 30.13 H new ATOM 0 HG3 GLN A 27 -7.834 -9.634 -14.070 1.00 30.13 H new ATOM 0 HE21 GLN A 27 -8.677 -11.374 -15.196 1.00 34.54 H new ATOM 0 HE22 GLN A 27 -8.223 -13.043 -14.837 1.00 34.54 H new ATOM 428 N ALA A 28 -4.783 -7.950 -14.343 1.00 64.22 N ATOM 429 CA ALA A 28 -4.614 -7.217 -15.586 1.00 21.42 C ATOM 430 C ALA A 28 -3.598 -7.935 -16.461 1.00 14.41 C ATOM 431 O ALA A 28 -3.778 -8.071 -17.675 1.00 65.14 O ATOM 432 CB ALA A 28 -4.180 -5.776 -15.297 1.00 1.31 C ATOM 0 H ALA A 28 -4.573 -7.407 -13.506 1.00 64.22 H new ATOM 0 HA ALA A 28 -5.564 -7.176 -16.119 1.00 21.42 H new ATOM 0 HB1 ALA A 28 -4.057 -5.238 -16.237 1.00 1.31 H new ATOM 0 HB2 ALA A 28 -4.940 -5.281 -14.692 1.00 1.31 H new ATOM 0 HB3 ALA A 28 -3.234 -5.783 -14.756 1.00 1.31 H new ATOM 438 N MET A 29 -2.543 -8.413 -15.831 1.00 12.51 N ATOM 439 CA MET A 29 -1.545 -9.191 -16.491 1.00 41.33 C ATOM 440 C MET A 29 -2.037 -10.584 -16.876 1.00 20.32 C ATOM 441 O MET A 29 -1.584 -11.118 -17.846 1.00 64.23 O ATOM 442 CB MET A 29 -0.248 -9.259 -15.704 1.00 73.13 C ATOM 443 CG MET A 29 0.549 -7.960 -15.667 1.00 43.11 C ATOM 444 SD MET A 29 2.124 -8.174 -14.874 1.00 65.14 S ATOM 445 CE MET A 29 2.796 -6.558 -15.123 1.00 34.13 C ATOM 0 H MET A 29 -2.364 -8.264 -14.838 1.00 12.51 H new ATOM 0 HA MET A 29 -1.331 -8.665 -17.421 1.00 41.33 H new ATOM 0 HB2 MET A 29 -0.476 -9.558 -14.681 1.00 73.13 H new ATOM 0 HB3 MET A 29 0.379 -10.041 -16.132 1.00 73.13 H new ATOM 0 HG2 MET A 29 0.700 -7.597 -16.684 1.00 43.11 H new ATOM 0 HG3 MET A 29 -0.023 -7.197 -15.139 1.00 43.11 H new ATOM 0 HE1 MET A 29 3.876 -6.629 -15.250 1.00 34.13 H new ATOM 0 HE2 MET A 29 2.354 -6.114 -16.015 1.00 34.13 H new ATOM 0 HE3 MET A 29 2.573 -5.934 -14.258 1.00 34.13 H new ATOM 455 N ILE A 30 -2.943 -11.173 -16.108 1.00 61.02 N ATOM 456 CA ILE A 30 -3.514 -12.485 -16.484 1.00 45.43 C ATOM 457 C ILE A 30 -4.334 -12.378 -17.770 1.00 42.34 C ATOM 458 O ILE A 30 -4.155 -13.171 -18.710 1.00 15.35 O ATOM 459 CB ILE A 30 -4.416 -13.101 -15.364 1.00 23.54 C ATOM 460 CG1 ILE A 30 -3.595 -13.436 -14.125 1.00 52.53 C ATOM 461 CG2 ILE A 30 -5.157 -14.349 -15.871 1.00 44.52 C ATOM 462 CD1 ILE A 30 -4.406 -14.040 -13.008 1.00 42.43 C ATOM 0 H ILE A 30 -3.301 -10.784 -15.236 1.00 61.02 H new ATOM 0 HA ILE A 30 -2.661 -13.146 -16.635 1.00 45.43 H new ATOM 0 HB ILE A 30 -5.160 -12.352 -15.091 1.00 23.54 H new ATOM 0 HG12 ILE A 30 -2.801 -14.130 -14.402 1.00 52.53 H new ATOM 0 HG13 ILE A 30 -3.113 -12.528 -13.763 1.00 52.53 H new ATOM 0 HG21 ILE A 30 -5.776 -14.755 -15.071 1.00 44.52 H new ATOM 0 HG22 ILE A 30 -5.789 -14.078 -16.717 1.00 44.52 H new ATOM 0 HG23 ILE A 30 -4.432 -15.100 -16.186 1.00 44.52 H new ATOM 0 HD11 ILE A 30 -3.755 -14.252 -12.160 1.00 42.43 H new ATOM 0 HD12 ILE A 30 -5.183 -13.340 -12.703 1.00 42.43 H new ATOM 0 HD13 ILE A 30 -4.867 -14.966 -13.352 1.00 42.43 H new ATOM 474 N ILE A 31 -5.216 -11.397 -17.811 1.00 72.13 N ATOM 475 CA ILE A 31 -6.107 -11.224 -18.926 1.00 34.23 C ATOM 476 C ILE A 31 -5.344 -10.860 -20.205 1.00 70.10 C ATOM 477 O ILE A 31 -5.628 -11.386 -21.279 1.00 42.10 O ATOM 478 CB ILE A 31 -7.174 -10.147 -18.633 1.00 34.30 C ATOM 479 CG1 ILE A 31 -7.881 -10.462 -17.323 1.00 5.42 C ATOM 480 CG2 ILE A 31 -8.193 -10.142 -19.746 1.00 70.32 C ATOM 481 CD1 ILE A 31 -8.978 -9.491 -16.971 1.00 64.31 C ATOM 0 H ILE A 31 -5.329 -10.704 -17.072 1.00 72.13 H new ATOM 0 HA ILE A 31 -6.607 -12.180 -19.080 1.00 34.23 H new ATOM 0 HB ILE A 31 -6.689 -9.173 -18.561 1.00 34.30 H new ATOM 0 HG12 ILE A 31 -8.303 -11.465 -17.382 1.00 5.42 H new ATOM 0 HG13 ILE A 31 -7.146 -10.472 -16.518 1.00 5.42 H new ATOM 0 HG21 ILE A 31 -8.949 -9.383 -19.544 1.00 70.32 H new ATOM 0 HG22 ILE A 31 -7.698 -9.919 -20.691 1.00 70.32 H new ATOM 0 HG23 ILE A 31 -8.669 -11.121 -19.808 1.00 70.32 H new ATOM 0 HD11 ILE A 31 -9.433 -9.783 -16.025 1.00 64.31 H new ATOM 0 HD12 ILE A 31 -8.561 -8.488 -16.878 1.00 64.31 H new ATOM 0 HD13 ILE A 31 -9.735 -9.498 -17.755 1.00 64.31 H new ATOM 493 N THR A 32 -4.365 -9.994 -20.081 1.00 2.14 N ATOM 494 CA THR A 32 -3.635 -9.537 -21.246 1.00 72.41 C ATOM 495 C THR A 32 -2.396 -10.395 -21.534 1.00 4.41 C ATOM 496 O THR A 32 -2.106 -10.723 -22.688 1.00 32.45 O ATOM 497 CB THR A 32 -3.197 -8.062 -21.075 1.00 4.52 C ATOM 498 OG1 THR A 32 -2.334 -7.943 -19.920 1.00 4.31 O ATOM 499 CG2 THR A 32 -4.414 -7.156 -20.890 1.00 24.14 C ATOM 0 H THR A 32 -4.056 -9.594 -19.195 1.00 2.14 H new ATOM 0 HA THR A 32 -4.317 -9.628 -22.091 1.00 72.41 H new ATOM 0 HB THR A 32 -2.661 -7.754 -21.973 1.00 4.52 H new ATOM 0 HG1 THR A 32 -2.880 -7.878 -19.109 1.00 4.31 H new ATOM 0 HG21 THR A 32 -4.085 -6.124 -20.772 1.00 24.14 H new ATOM 0 HG22 THR A 32 -5.061 -7.232 -21.764 1.00 24.14 H new ATOM 0 HG23 THR A 32 -4.966 -7.465 -20.002 1.00 24.14 H new ATOM 507 N LYS A 33 -1.670 -10.759 -20.456 1.00 74.42 N ATOM 508 CA LYS A 33 -0.374 -11.458 -20.520 1.00 24.41 C ATOM 509 C LYS A 33 0.651 -10.581 -21.249 1.00 42.44 C ATOM 510 O LYS A 33 1.698 -11.053 -21.686 1.00 12.23 O ATOM 511 CB LYS A 33 -0.511 -12.846 -21.181 1.00 60.22 C ATOM 512 CG LYS A 33 -1.369 -13.819 -20.383 1.00 72.31 C ATOM 513 CD LYS A 33 -1.508 -15.157 -21.090 1.00 42.30 C ATOM 514 CE LYS A 33 -2.336 -16.146 -20.272 1.00 64.25 C ATOM 515 NZ LYS A 33 -1.713 -16.473 -18.966 1.00 74.22 N ATOM 0 H LYS A 33 -1.976 -10.571 -19.501 1.00 74.42 H new ATOM 0 HA LYS A 33 -0.020 -11.632 -19.504 1.00 24.41 H new ATOM 0 HB2 LYS A 33 -0.942 -12.725 -22.175 1.00 60.22 H new ATOM 0 HB3 LYS A 33 0.482 -13.275 -21.314 1.00 60.22 H new ATOM 0 HG2 LYS A 33 -0.926 -13.972 -19.399 1.00 72.31 H new ATOM 0 HG3 LYS A 33 -2.357 -13.387 -20.224 1.00 72.31 H new ATOM 0 HD2 LYS A 33 -1.977 -15.007 -22.063 1.00 42.30 H new ATOM 0 HD3 LYS A 33 -0.519 -15.576 -21.274 1.00 42.30 H new ATOM 0 HE2 LYS A 33 -3.329 -15.729 -20.102 1.00 64.25 H new ATOM 0 HE3 LYS A 33 -2.470 -17.063 -20.846 1.00 64.25 H new ATOM 0 HZ1 LYS A 33 -2.432 -16.872 -18.329 1.00 74.22 H new ATOM 0 HZ2 LYS A 33 -0.953 -17.168 -19.108 1.00 74.22 H new ATOM 0 HZ3 LYS A 33 -1.317 -15.609 -18.544 1.00 74.22 H new ATOM 529 N SER A 34 0.354 -9.280 -21.319 1.00 54.34 N ATOM 530 CA SER A 34 1.183 -8.353 -22.056 1.00 1.24 C ATOM 531 C SER A 34 2.269 -7.740 -21.170 1.00 70.20 C ATOM 532 O SER A 34 3.305 -7.315 -21.674 1.00 31.33 O ATOM 533 CB SER A 34 0.275 -7.249 -22.622 1.00 22.32 C ATOM 534 OG SER A 34 0.995 -6.274 -23.357 1.00 13.21 O ATOM 0 H SER A 34 -0.458 -8.855 -20.870 1.00 54.34 H new ATOM 0 HA SER A 34 1.690 -8.886 -22.860 1.00 1.24 H new ATOM 0 HB2 SER A 34 -0.480 -7.700 -23.266 1.00 22.32 H new ATOM 0 HB3 SER A 34 -0.254 -6.763 -21.802 1.00 22.32 H new ATOM 0 HG SER A 34 0.374 -5.596 -23.697 1.00 13.21 H new ATOM 540 N SER A 35 2.041 -7.753 -19.849 1.00 31.35 N ATOM 541 CA SER A 35 3.001 -7.267 -18.818 1.00 13.23 C ATOM 542 C SER A 35 3.391 -5.744 -18.911 1.00 20.44 C ATOM 543 O SER A 35 3.754 -5.135 -17.905 1.00 3.41 O ATOM 544 CB SER A 35 4.262 -8.122 -18.859 1.00 3.45 C ATOM 545 OG SER A 35 3.929 -9.495 -18.742 1.00 43.13 O ATOM 0 H SER A 35 1.172 -8.106 -19.448 1.00 31.35 H new ATOM 0 HA SER A 35 2.475 -7.365 -17.868 1.00 13.23 H new ATOM 0 HB2 SER A 35 4.797 -7.949 -19.793 1.00 3.45 H new ATOM 0 HB3 SER A 35 4.932 -7.833 -18.049 1.00 3.45 H new ATOM 0 HG SER A 35 3.927 -9.752 -17.796 1.00 43.13 H new ATOM 551 N LYS A 36 3.294 -5.160 -20.083 1.00 60.00 N ATOM 552 CA LYS A 36 3.794 -3.808 -20.319 1.00 60.10 C ATOM 553 C LYS A 36 2.759 -2.938 -21.020 1.00 3.41 C ATOM 554 O LYS A 36 3.062 -1.821 -21.449 1.00 62.20 O ATOM 555 CB LYS A 36 5.054 -3.890 -21.190 1.00 24.50 C ATOM 556 CG LYS A 36 4.797 -4.538 -22.543 1.00 12.42 C ATOM 557 CD LYS A 36 6.036 -4.607 -23.399 1.00 31.42 C ATOM 558 CE LYS A 36 5.716 -5.228 -24.744 1.00 3.33 C ATOM 559 NZ LYS A 36 6.905 -5.322 -25.615 1.00 41.41 N ATOM 0 H LYS A 36 2.870 -5.598 -20.901 1.00 60.00 H new ATOM 0 HA LYS A 36 4.017 -3.354 -19.354 1.00 60.10 H new ATOM 0 HB2 LYS A 36 5.450 -2.886 -21.343 1.00 24.50 H new ATOM 0 HB3 LYS A 36 5.819 -4.457 -20.661 1.00 24.50 H new ATOM 0 HG2 LYS A 36 4.409 -5.545 -22.391 1.00 12.42 H new ATOM 0 HG3 LYS A 36 4.027 -3.975 -23.070 1.00 12.42 H new ATOM 0 HD2 LYS A 36 6.443 -3.606 -23.541 1.00 31.42 H new ATOM 0 HD3 LYS A 36 6.803 -5.194 -22.893 1.00 31.42 H new ATOM 0 HE2 LYS A 36 5.300 -6.224 -24.592 1.00 3.33 H new ATOM 0 HE3 LYS A 36 4.949 -4.635 -25.242 1.00 3.33 H new ATOM 0 HZ1 LYS A 36 6.637 -5.753 -26.523 1.00 41.41 H new ATOM 0 HZ2 LYS A 36 7.288 -4.370 -25.783 1.00 41.41 H new ATOM 0 HZ3 LYS A 36 7.628 -5.910 -25.153 1.00 41.41 H new ATOM 573 N GLY A 37 1.551 -3.436 -21.129 1.00 53.23 N ATOM 574 CA GLY A 37 0.511 -2.681 -21.783 1.00 30.41 C ATOM 575 C GLY A 37 0.029 -1.533 -20.928 1.00 53.34 C ATOM 576 O GLY A 37 0.589 -1.268 -19.842 1.00 53.51 O ATOM 0 H GLY A 37 1.266 -4.350 -20.778 1.00 53.23 H new ATOM 0 HA2 GLY A 37 0.884 -2.296 -22.732 1.00 30.41 H new ATOM 0 HA3 GLY A 37 -0.327 -3.340 -22.013 1.00 30.41 H new ATOM 580 N ASP A 38 -0.974 -0.841 -21.379 1.00 61.53 N ATOM 581 CA ASP A 38 -1.517 0.228 -20.585 1.00 54.21 C ATOM 582 C ASP A 38 -2.499 -0.290 -19.594 1.00 62.13 C ATOM 583 O ASP A 38 -3.569 -0.779 -19.941 1.00 65.24 O ATOM 584 CB ASP A 38 -2.135 1.345 -21.422 1.00 74.21 C ATOM 585 CG ASP A 38 -1.107 2.141 -22.176 1.00 35.44 C ATOM 586 OD1 ASP A 38 -0.466 3.026 -21.573 1.00 4.23 O ATOM 587 OD2 ASP A 38 -0.915 1.906 -23.382 1.00 73.40 O ATOM 0 H ASP A 38 -1.430 -0.991 -22.279 1.00 61.53 H new ATOM 0 HA ASP A 38 -0.675 0.669 -20.052 1.00 54.21 H new ATOM 0 HB2 ASP A 38 -2.845 0.914 -22.128 1.00 74.21 H new ATOM 0 HB3 ASP A 38 -2.699 2.012 -20.770 1.00 74.21 H new ATOM 592 N PHE A 39 -2.134 -0.189 -18.364 1.00 55.12 N ATOM 593 CA PHE A 39 -2.966 -0.598 -17.295 1.00 45.44 C ATOM 594 C PHE A 39 -3.254 0.635 -16.489 1.00 14.51 C ATOM 595 O PHE A 39 -2.327 1.309 -16.027 1.00 64.14 O ATOM 596 CB PHE A 39 -2.258 -1.669 -16.445 1.00 44.40 C ATOM 597 CG PHE A 39 -1.804 -2.882 -17.241 1.00 21.02 C ATOM 598 CD1 PHE A 39 -2.721 -3.779 -17.744 1.00 63.34 C ATOM 599 CD2 PHE A 39 -0.463 -3.106 -17.489 1.00 64.13 C ATOM 600 CE1 PHE A 39 -2.313 -4.879 -18.474 1.00 11.30 C ATOM 601 CE2 PHE A 39 -0.049 -4.205 -18.220 1.00 72.01 C ATOM 602 CZ PHE A 39 -0.978 -5.092 -18.712 1.00 64.54 C ATOM 0 H PHE A 39 -1.232 0.187 -18.071 1.00 55.12 H new ATOM 0 HA PHE A 39 -3.892 -1.047 -17.656 1.00 45.44 H new ATOM 0 HB2 PHE A 39 -1.392 -1.220 -15.959 1.00 44.40 H new ATOM 0 HB3 PHE A 39 -2.933 -1.997 -15.654 1.00 44.40 H new ATOM 0 HD1 PHE A 39 -3.774 -3.620 -17.565 1.00 63.34 H new ATOM 0 HD2 PHE A 39 0.272 -2.413 -17.107 1.00 64.13 H new ATOM 0 HE1 PHE A 39 -3.046 -5.573 -18.858 1.00 11.30 H new ATOM 0 HE2 PHE A 39 1.003 -4.366 -18.404 1.00 72.01 H new ATOM 0 HZ PHE A 39 -0.659 -5.952 -19.283 1.00 64.54 H new ATOM 612 N LEU A 40 -4.503 0.958 -16.339 1.00 51.23 N ATOM 613 CA LEU A 40 -4.866 2.193 -15.678 1.00 65.32 C ATOM 614 C LEU A 40 -5.488 1.908 -14.349 1.00 72.23 C ATOM 615 O LEU A 40 -6.480 1.190 -14.255 1.00 54.04 O ATOM 616 CB LEU A 40 -5.819 3.048 -16.528 1.00 40.44 C ATOM 617 CG LEU A 40 -5.339 3.454 -17.929 1.00 51.21 C ATOM 618 CD1 LEU A 40 -6.380 4.319 -18.614 1.00 51.54 C ATOM 619 CD2 LEU A 40 -4.007 4.183 -17.868 1.00 50.05 C ATOM 0 H LEU A 40 -5.290 0.394 -16.660 1.00 51.23 H new ATOM 0 HA LEU A 40 -3.948 2.763 -15.537 1.00 65.32 H new ATOM 0 HB2 LEU A 40 -6.756 2.502 -16.637 1.00 40.44 H new ATOM 0 HB3 LEU A 40 -6.044 3.958 -15.971 1.00 40.44 H new ATOM 0 HG LEU A 40 -5.197 2.543 -18.510 1.00 51.21 H new ATOM 0 HD11 LEU A 40 -6.025 4.599 -19.606 1.00 51.54 H new ATOM 0 HD12 LEU A 40 -7.312 3.762 -18.706 1.00 51.54 H new ATOM 0 HD13 LEU A 40 -6.551 5.219 -18.023 1.00 51.54 H new ATOM 0 HD21 LEU A 40 -3.695 4.456 -18.876 1.00 50.05 H new ATOM 0 HD22 LEU A 40 -4.113 5.084 -17.264 1.00 50.05 H new ATOM 0 HD23 LEU A 40 -3.256 3.532 -17.420 1.00 50.05 H new ATOM 631 N ILE A 41 -4.927 2.466 -13.331 1.00 64.25 N ATOM 632 CA ILE A 41 -5.403 2.246 -12.016 1.00 53.35 C ATOM 633 C ILE A 41 -6.082 3.491 -11.499 1.00 54.20 C ATOM 634 O ILE A 41 -5.627 4.612 -11.751 1.00 60.40 O ATOM 635 CB ILE A 41 -4.274 1.806 -11.047 1.00 61.43 C ATOM 636 CG1 ILE A 41 -3.548 0.575 -11.623 1.00 74.31 C ATOM 637 CG2 ILE A 41 -4.842 1.510 -9.659 1.00 25.44 C ATOM 638 CD1 ILE A 41 -2.638 -0.134 -10.658 1.00 63.00 C ATOM 0 H ILE A 41 -4.122 3.090 -13.392 1.00 64.25 H new ATOM 0 HA ILE A 41 -6.123 1.429 -12.061 1.00 53.35 H new ATOM 0 HB ILE A 41 -3.554 2.618 -10.943 1.00 61.43 H new ATOM 0 HG12 ILE A 41 -4.294 -0.133 -11.983 1.00 74.31 H new ATOM 0 HG13 ILE A 41 -2.963 0.888 -12.488 1.00 74.31 H new ATOM 0 HG21 ILE A 41 -4.035 1.203 -8.994 1.00 25.44 H new ATOM 0 HG22 ILE A 41 -5.318 2.406 -9.262 1.00 25.44 H new ATOM 0 HG23 ILE A 41 -5.578 0.709 -9.730 1.00 25.44 H new ATOM 0 HD11 ILE A 41 -2.173 -0.986 -11.155 1.00 63.00 H new ATOM 0 HD12 ILE A 41 -1.864 0.553 -10.316 1.00 63.00 H new ATOM 0 HD13 ILE A 41 -3.216 -0.484 -9.803 1.00 63.00 H new ATOM 650 N ARG A 42 -7.177 3.289 -10.816 1.00 22.51 N ATOM 651 CA ARG A 42 -7.942 4.344 -10.234 1.00 74.45 C ATOM 652 C ARG A 42 -7.127 4.934 -9.108 1.00 63.01 C ATOM 653 O ARG A 42 -6.663 4.216 -8.214 1.00 2.44 O ATOM 654 CB ARG A 42 -9.223 3.776 -9.663 1.00 22.21 C ATOM 655 CG ARG A 42 -10.309 4.792 -9.355 1.00 41.23 C ATOM 656 CD ARG A 42 -10.938 5.347 -10.632 1.00 13.32 C ATOM 657 NE ARG A 42 -12.340 5.728 -10.421 1.00 62.24 N ATOM 658 CZ ARG A 42 -13.156 6.263 -11.347 1.00 42.30 C ATOM 659 NH1 ARG A 42 -12.699 6.560 -12.562 1.00 54.42 N ATOM 660 NH2 ARG A 42 -14.424 6.502 -11.043 1.00 54.44 N ATOM 0 H ARG A 42 -7.566 2.361 -10.648 1.00 22.51 H new ATOM 0 HA ARG A 42 -8.181 5.100 -10.981 1.00 74.45 H new ATOM 0 HB2 ARG A 42 -9.622 3.046 -10.367 1.00 22.21 H new ATOM 0 HB3 ARG A 42 -8.984 3.237 -8.746 1.00 22.21 H new ATOM 0 HG2 ARG A 42 -11.080 4.326 -8.741 1.00 41.23 H new ATOM 0 HG3 ARG A 42 -9.888 5.610 -8.771 1.00 41.23 H new ATOM 0 HD2 ARG A 42 -10.371 6.214 -10.970 1.00 13.32 H new ATOM 0 HD3 ARG A 42 -10.878 4.599 -11.423 1.00 13.32 H new ATOM 0 HE ARG A 42 -12.729 5.574 -9.491 1.00 62.24 H new ATOM 0 HH11 ARG A 42 -11.723 6.382 -12.797 1.00 54.42 H new ATOM 0 HH12 ARG A 42 -13.325 6.965 -13.257 1.00 54.42 H new ATOM 0 HH21 ARG A 42 -14.776 6.280 -10.112 1.00 54.44 H new ATOM 0 HH22 ARG A 42 -15.048 6.908 -11.741 1.00 54.44 H new ATOM 674 N THR A 43 -6.957 6.188 -9.150 1.00 12.34 N ATOM 675 CA THR A 43 -6.172 6.876 -8.193 1.00 1.12 C ATOM 676 C THR A 43 -6.993 8.027 -7.641 1.00 32.52 C ATOM 677 O THR A 43 -7.929 8.500 -8.303 1.00 31.20 O ATOM 678 CB THR A 43 -4.813 7.358 -8.793 1.00 1.54 C ATOM 679 OG1 THR A 43 -3.971 7.864 -7.764 1.00 72.13 O ATOM 680 CG2 THR A 43 -5.012 8.430 -9.841 1.00 45.13 C ATOM 0 H THR A 43 -7.366 6.790 -9.865 1.00 12.34 H new ATOM 0 HA THR A 43 -5.909 6.198 -7.381 1.00 1.12 H new ATOM 0 HB THR A 43 -4.345 6.495 -9.266 1.00 1.54 H new ATOM 0 HG1 THR A 43 -3.122 8.161 -8.153 1.00 72.13 H new ATOM 0 HG21 THR A 43 -4.043 8.739 -10.234 1.00 45.13 H new ATOM 0 HG22 THR A 43 -5.624 8.036 -10.652 1.00 45.13 H new ATOM 0 HG23 THR A 43 -5.512 9.289 -9.393 1.00 45.13 H new ATOM 688 N LYS A 44 -6.682 8.444 -6.448 1.00 74.22 N ATOM 689 CA LYS A 44 -7.448 9.455 -5.773 1.00 72.10 C ATOM 690 C LYS A 44 -6.641 10.739 -5.748 1.00 24.11 C ATOM 691 O LYS A 44 -5.602 10.827 -5.084 1.00 42.43 O ATOM 692 CB LYS A 44 -7.726 8.982 -4.349 1.00 74.24 C ATOM 693 CG LYS A 44 -8.441 7.641 -4.289 1.00 1.32 C ATOM 694 CD LYS A 44 -8.517 7.121 -2.873 1.00 62.22 C ATOM 695 CE LYS A 44 -9.163 5.746 -2.827 1.00 2.32 C ATOM 696 NZ LYS A 44 -9.123 5.156 -1.471 1.00 24.11 N ATOM 0 H LYS A 44 -5.888 8.092 -5.913 1.00 74.22 H new ATOM 0 HA LYS A 44 -8.393 9.634 -6.286 1.00 72.10 H new ATOM 0 HB2 LYS A 44 -6.783 8.907 -3.808 1.00 74.24 H new ATOM 0 HB3 LYS A 44 -8.330 9.731 -3.836 1.00 74.24 H new ATOM 0 HG2 LYS A 44 -9.447 7.745 -4.695 1.00 1.32 H new ATOM 0 HG3 LYS A 44 -7.917 6.919 -4.916 1.00 1.32 H new ATOM 0 HD2 LYS A 44 -7.515 7.069 -2.447 1.00 62.22 H new ATOM 0 HD3 LYS A 44 -9.089 7.815 -2.258 1.00 62.22 H new ATOM 0 HE2 LYS A 44 -10.199 5.822 -3.158 1.00 2.32 H new ATOM 0 HE3 LYS A 44 -8.653 5.083 -3.525 1.00 2.32 H new ATOM 0 HZ1 LYS A 44 -9.449 4.169 -1.512 1.00 24.11 H new ATOM 0 HZ2 LYS A 44 -8.148 5.184 -1.109 1.00 24.11 H new ATOM 0 HZ3 LYS A 44 -9.743 5.700 -0.837 1.00 24.11 H new ATOM 710 N LYS A 45 -7.096 11.699 -6.502 1.00 5.41 N ATOM 711 CA LYS A 45 -6.432 12.966 -6.644 1.00 74.30 C ATOM 712 C LYS A 45 -7.461 14.078 -6.513 1.00 24.44 C ATOM 713 O LYS A 45 -8.418 14.114 -7.271 1.00 33.21 O ATOM 714 CB LYS A 45 -5.725 13.003 -8.009 1.00 30.23 C ATOM 715 CG LYS A 45 -4.949 14.252 -8.311 1.00 3.14 C ATOM 716 CD LYS A 45 -4.343 14.159 -9.694 1.00 64.33 C ATOM 717 CE LYS A 45 -5.404 14.167 -10.795 1.00 1.15 C ATOM 718 NZ LYS A 45 -4.806 14.133 -12.153 1.00 24.10 N ATOM 0 H LYS A 45 -7.955 11.623 -7.046 1.00 5.41 H new ATOM 0 HA LYS A 45 -5.681 13.106 -5.866 1.00 74.30 H new ATOM 0 HB2 LYS A 45 -5.045 12.153 -8.068 1.00 30.23 H new ATOM 0 HB3 LYS A 45 -6.474 12.866 -8.789 1.00 30.23 H new ATOM 0 HG2 LYS A 45 -5.604 15.121 -8.249 1.00 3.14 H new ATOM 0 HG3 LYS A 45 -4.163 14.391 -7.569 1.00 3.14 H new ATOM 0 HD2 LYS A 45 -3.659 14.994 -9.845 1.00 64.33 H new ATOM 0 HD3 LYS A 45 -3.752 13.246 -9.769 1.00 64.33 H new ATOM 0 HE2 LYS A 45 -6.062 13.307 -10.669 1.00 1.15 H new ATOM 0 HE3 LYS A 45 -6.022 15.059 -10.695 1.00 1.15 H new ATOM 0 HZ1 LYS A 45 -5.563 14.140 -12.866 1.00 24.10 H new ATOM 0 HZ2 LYS A 45 -4.198 14.966 -12.286 1.00 24.10 H new ATOM 0 HZ3 LYS A 45 -4.237 13.269 -12.260 1.00 24.10 H new ATOM 732 N ASP A 46 -7.269 14.953 -5.520 1.00 35.45 N ATOM 733 CA ASP A 46 -8.199 16.082 -5.197 1.00 10.21 C ATOM 734 C ASP A 46 -9.559 15.548 -4.793 1.00 70.12 C ATOM 735 O ASP A 46 -10.588 16.216 -4.959 1.00 33.14 O ATOM 736 CB ASP A 46 -8.373 17.056 -6.391 1.00 21.33 C ATOM 737 CG ASP A 46 -7.118 17.792 -6.764 1.00 73.12 C ATOM 738 OD1 ASP A 46 -6.842 18.869 -6.175 1.00 44.54 O ATOM 739 OD2 ASP A 46 -6.385 17.325 -7.657 1.00 2.51 O ATOM 0 H ASP A 46 -6.459 14.912 -4.901 1.00 35.45 H new ATOM 0 HA ASP A 46 -7.752 16.632 -4.369 1.00 10.21 H new ATOM 0 HB2 ASP A 46 -8.724 16.495 -7.257 1.00 21.33 H new ATOM 0 HB3 ASP A 46 -9.149 17.781 -6.145 1.00 21.33 H new ATOM 744 N GLY A 47 -9.557 14.375 -4.187 1.00 23.22 N ATOM 745 CA GLY A 47 -10.794 13.734 -3.786 1.00 32.14 C ATOM 746 C GLY A 47 -11.581 13.222 -4.983 1.00 55.23 C ATOM 747 O GLY A 47 -12.788 12.970 -4.889 1.00 3.24 O ATOM 0 H GLY A 47 -8.713 13.848 -3.962 1.00 23.22 H new ATOM 0 HA2 GLY A 47 -10.572 12.904 -3.115 1.00 32.14 H new ATOM 0 HA3 GLY A 47 -11.405 14.442 -3.226 1.00 32.14 H new ATOM 751 N LYS A 48 -10.913 13.102 -6.102 1.00 71.23 N ATOM 752 CA LYS A 48 -11.508 12.619 -7.326 1.00 51.42 C ATOM 753 C LYS A 48 -10.828 11.334 -7.701 1.00 52.23 C ATOM 754 O LYS A 48 -9.644 11.150 -7.408 1.00 71.32 O ATOM 755 CB LYS A 48 -11.283 13.639 -8.442 1.00 51.22 C ATOM 756 CG LYS A 48 -11.807 15.018 -8.130 1.00 74.22 C ATOM 757 CD LYS A 48 -11.429 16.009 -9.203 1.00 52.44 C ATOM 758 CE LYS A 48 -11.907 17.388 -8.834 1.00 14.15 C ATOM 759 NZ LYS A 48 -11.518 18.395 -9.829 1.00 72.04 N ATOM 0 H LYS A 48 -9.925 13.340 -6.192 1.00 71.23 H new ATOM 0 HA LYS A 48 -12.578 12.465 -7.186 1.00 51.42 H new ATOM 0 HB2 LYS A 48 -10.215 13.706 -8.649 1.00 51.22 H new ATOM 0 HB3 LYS A 48 -11.762 13.277 -9.352 1.00 51.22 H new ATOM 0 HG2 LYS A 48 -12.892 14.982 -8.032 1.00 74.22 H new ATOM 0 HG3 LYS A 48 -11.411 15.350 -7.170 1.00 74.22 H new ATOM 0 HD2 LYS A 48 -10.347 16.016 -9.336 1.00 52.44 H new ATOM 0 HD3 LYS A 48 -11.866 15.708 -10.155 1.00 52.44 H new ATOM 0 HE2 LYS A 48 -12.992 17.380 -8.733 1.00 14.15 H new ATOM 0 HE3 LYS A 48 -11.499 17.664 -7.862 1.00 14.15 H new ATOM 0 HZ1 LYS A 48 -11.868 19.329 -9.533 1.00 72.04 H new ATOM 0 HZ2 LYS A 48 -10.481 18.423 -9.907 1.00 72.04 H new ATOM 0 HZ3 LYS A 48 -11.928 18.148 -10.752 1.00 72.04 H new ATOM 773 N GLN A 49 -11.545 10.448 -8.320 1.00 3.01 N ATOM 774 CA GLN A 49 -10.974 9.220 -8.749 1.00 24.35 C ATOM 775 C GLN A 49 -10.734 9.282 -10.230 1.00 51.23 C ATOM 776 O GLN A 49 -11.664 9.484 -11.007 1.00 52.33 O ATOM 777 CB GLN A 49 -11.865 8.042 -8.430 1.00 21.33 C ATOM 778 CG GLN A 49 -12.151 7.806 -6.969 1.00 72.44 C ATOM 779 CD GLN A 49 -12.891 6.497 -6.760 1.00 13.53 C ATOM 780 OE1 GLN A 49 -13.648 6.037 -7.633 1.00 31.02 O ATOM 781 NE2 GLN A 49 -12.684 5.892 -5.629 1.00 21.11 N ATOM 0 H GLN A 49 -12.535 10.559 -8.539 1.00 3.01 H new ATOM 0 HA GLN A 49 -10.035 9.078 -8.215 1.00 24.35 H new ATOM 0 HB2 GLN A 49 -12.814 8.179 -8.948 1.00 21.33 H new ATOM 0 HB3 GLN A 49 -11.405 7.143 -8.840 1.00 21.33 H new ATOM 0 HG2 GLN A 49 -11.215 7.791 -6.410 1.00 72.44 H new ATOM 0 HG3 GLN A 49 -12.745 8.630 -6.574 1.00 72.44 H new ATOM 0 HE21 GLN A 49 -12.055 6.302 -4.939 1.00 21.11 H new ATOM 0 HE22 GLN A 49 -13.150 5.007 -5.431 1.00 21.11 H new ATOM 790 N VAL A 50 -9.520 9.106 -10.617 1.00 35.33 N ATOM 791 CA VAL A 50 -9.152 9.174 -12.015 1.00 44.35 C ATOM 792 C VAL A 50 -8.335 7.953 -12.373 1.00 60.13 C ATOM 793 O VAL A 50 -7.870 7.242 -11.485 1.00 34.45 O ATOM 794 CB VAL A 50 -8.351 10.479 -12.366 1.00 71.43 C ATOM 795 CG1 VAL A 50 -9.177 11.731 -12.097 1.00 63.42 C ATOM 796 CG2 VAL A 50 -7.043 10.547 -11.597 1.00 65.22 C ATOM 0 H VAL A 50 -8.743 8.910 -9.985 1.00 35.33 H new ATOM 0 HA VAL A 50 -10.072 9.201 -12.599 1.00 44.35 H new ATOM 0 HB VAL A 50 -8.127 10.437 -13.432 1.00 71.43 H new ATOM 0 HG11 VAL A 50 -8.592 12.615 -12.351 1.00 63.42 H new ATOM 0 HG12 VAL A 50 -10.081 11.708 -12.705 1.00 63.42 H new ATOM 0 HG13 VAL A 50 -9.450 11.767 -11.042 1.00 63.42 H new ATOM 0 HG21 VAL A 50 -6.512 11.461 -11.862 1.00 65.22 H new ATOM 0 HG22 VAL A 50 -7.250 10.544 -10.527 1.00 65.22 H new ATOM 0 HG23 VAL A 50 -6.427 9.684 -11.850 1.00 65.22 H new ATOM 806 N TRP A 51 -8.184 7.696 -13.640 1.00 31.12 N ATOM 807 CA TRP A 51 -7.406 6.576 -14.093 1.00 14.03 C ATOM 808 C TRP A 51 -5.998 7.030 -14.418 1.00 73.34 C ATOM 809 O TRP A 51 -5.789 7.889 -15.284 1.00 41.03 O ATOM 810 CB TRP A 51 -8.041 5.939 -15.326 1.00 1.33 C ATOM 811 CG TRP A 51 -9.412 5.420 -15.118 1.00 71.04 C ATOM 812 CD1 TRP A 51 -10.525 5.921 -15.656 1.00 23.03 C ATOM 813 CD2 TRP A 51 -9.813 4.299 -14.321 1.00 72.12 C ATOM 814 NE1 TRP A 51 -11.616 5.194 -15.265 1.00 32.14 N ATOM 815 CE2 TRP A 51 -11.208 4.188 -14.447 1.00 71.31 C ATOM 816 CE3 TRP A 51 -9.134 3.379 -13.524 1.00 51.31 C ATOM 817 CZ2 TRP A 51 -11.942 3.198 -13.810 1.00 61.30 C ATOM 818 CZ3 TRP A 51 -9.865 2.393 -12.888 1.00 35.25 C ATOM 819 CH2 TRP A 51 -11.255 2.310 -13.034 1.00 2.33 C ATOM 0 H TRP A 51 -8.595 8.255 -14.388 1.00 31.12 H new ATOM 0 HA TRP A 51 -7.375 5.832 -13.297 1.00 14.03 H new ATOM 0 HB2 TRP A 51 -8.064 6.677 -16.128 1.00 1.33 H new ATOM 0 HB3 TRP A 51 -7.405 5.121 -15.664 1.00 1.33 H new ATOM 0 HD1 TRP A 51 -10.560 6.780 -16.309 1.00 23.03 H new ATOM 0 HE1 TRP A 51 -12.580 5.377 -15.543 1.00 32.14 H new ATOM 0 HE3 TRP A 51 -8.062 3.435 -13.406 1.00 51.31 H new ATOM 0 HZ2 TRP A 51 -13.014 3.133 -13.924 1.00 61.30 H new ATOM 0 HZ3 TRP A 51 -9.354 1.673 -12.266 1.00 35.25 H new ATOM 0 HH2 TRP A 51 -11.795 1.527 -12.522 1.00 2.33 H new ATOM 830 N GLU A 52 -5.049 6.485 -13.722 1.00 32.42 N ATOM 831 CA GLU A 52 -3.670 6.814 -13.926 1.00 42.34 C ATOM 832 C GLU A 52 -2.914 5.561 -14.295 1.00 5.44 C ATOM 833 O GLU A 52 -3.221 4.481 -13.788 1.00 64.33 O ATOM 834 CB GLU A 52 -3.087 7.439 -12.663 1.00 13.04 C ATOM 835 CG GLU A 52 -1.643 7.860 -12.795 1.00 53.03 C ATOM 836 CD GLU A 52 -1.456 8.841 -13.917 1.00 3.01 C ATOM 837 OE1 GLU A 52 -1.882 10.003 -13.778 1.00 74.13 O ATOM 838 OE2 GLU A 52 -0.888 8.458 -14.962 1.00 70.55 O ATOM 0 H GLU A 52 -5.210 5.793 -12.990 1.00 32.42 H new ATOM 0 HA GLU A 52 -3.581 7.539 -14.735 1.00 42.34 H new ATOM 0 HB2 GLU A 52 -3.685 8.309 -12.392 1.00 13.04 H new ATOM 0 HB3 GLU A 52 -3.173 6.725 -11.844 1.00 13.04 H new ATOM 0 HG2 GLU A 52 -1.306 8.307 -11.860 1.00 53.03 H new ATOM 0 HG3 GLU A 52 -1.021 6.982 -12.971 1.00 53.03 H new ATOM 845 N ALA A 53 -1.930 5.699 -15.152 1.00 24.15 N ATOM 846 CA ALA A 53 -1.157 4.575 -15.622 1.00 4.13 C ATOM 847 C ALA A 53 -0.409 3.905 -14.481 1.00 54.14 C ATOM 848 O ALA A 53 0.101 4.576 -13.564 1.00 25.22 O ATOM 849 CB ALA A 53 -0.190 5.011 -16.711 1.00 74.42 C ATOM 0 H ALA A 53 -1.643 6.596 -15.543 1.00 24.15 H new ATOM 0 HA ALA A 53 -1.849 3.845 -16.042 1.00 4.13 H new ATOM 0 HB1 ALA A 53 0.385 4.150 -17.053 1.00 74.42 H new ATOM 0 HB2 ALA A 53 -0.749 5.430 -17.548 1.00 74.42 H new ATOM 0 HB3 ALA A 53 0.489 5.766 -16.314 1.00 74.42 H new ATOM 855 N ALA A 54 -0.401 2.595 -14.503 1.00 63.45 N ATOM 856 CA ALA A 54 0.330 1.790 -13.551 1.00 25.50 C ATOM 857 C ALA A 54 1.818 2.113 -13.603 1.00 50.34 C ATOM 858 O ALA A 54 2.301 2.749 -14.546 1.00 41.51 O ATOM 859 CB ALA A 54 0.105 0.319 -13.840 1.00 1.44 C ATOM 0 H ALA A 54 -0.911 2.047 -15.195 1.00 63.45 H new ATOM 0 HA ALA A 54 -0.035 2.018 -12.550 1.00 25.50 H new ATOM 0 HB1 ALA A 54 0.659 -0.282 -13.119 1.00 1.44 H new ATOM 0 HB2 ALA A 54 -0.958 0.091 -13.762 1.00 1.44 H new ATOM 0 HB3 ALA A 54 0.452 0.089 -14.847 1.00 1.44 H new ATOM 865 N SER A 55 2.540 1.650 -12.639 1.00 4.03 N ATOM 866 CA SER A 55 3.921 1.947 -12.556 1.00 11.23 C ATOM 867 C SER A 55 4.645 0.750 -13.069 1.00 24.04 C ATOM 868 O SER A 55 4.190 -0.367 -12.852 1.00 5.33 O ATOM 869 CB SER A 55 4.294 2.246 -11.084 1.00 12.11 C ATOM 870 OG SER A 55 5.678 2.522 -10.923 1.00 33.22 O ATOM 0 H SER A 55 2.185 1.056 -11.889 1.00 4.03 H new ATOM 0 HA SER A 55 4.188 2.826 -13.143 1.00 11.23 H new ATOM 0 HB2 SER A 55 3.713 3.097 -10.730 1.00 12.11 H new ATOM 0 HB3 SER A 55 4.021 1.393 -10.462 1.00 12.11 H new ATOM 0 HG SER A 55 5.867 2.706 -9.979 1.00 33.22 H new ATOM 876 N LYS A 56 5.747 0.963 -13.737 1.00 5.21 N ATOM 877 CA LYS A 56 6.517 -0.121 -14.294 1.00 14.33 C ATOM 878 C LYS A 56 7.006 -1.022 -13.173 1.00 32.54 C ATOM 879 O LYS A 56 6.985 -2.235 -13.289 1.00 43.14 O ATOM 880 CB LYS A 56 7.673 0.441 -15.129 1.00 72.33 C ATOM 881 CG LYS A 56 8.545 -0.597 -15.807 1.00 73.21 C ATOM 882 CD LYS A 56 9.542 0.073 -16.733 1.00 44.23 C ATOM 883 CE LYS A 56 10.476 -0.929 -17.362 1.00 42.13 C ATOM 884 NZ LYS A 56 11.395 -0.290 -18.328 1.00 4.45 N ATOM 0 H LYS A 56 6.137 1.889 -13.911 1.00 5.21 H new ATOM 0 HA LYS A 56 5.896 -0.723 -14.958 1.00 14.33 H new ATOM 0 HB2 LYS A 56 7.261 1.101 -15.893 1.00 72.33 H new ATOM 0 HB3 LYS A 56 8.302 1.054 -14.483 1.00 72.33 H new ATOM 0 HG2 LYS A 56 9.074 -1.183 -15.056 1.00 73.21 H new ATOM 0 HG3 LYS A 56 7.923 -1.290 -16.373 1.00 73.21 H new ATOM 0 HD2 LYS A 56 9.007 0.613 -17.514 1.00 44.23 H new ATOM 0 HD3 LYS A 56 10.120 0.809 -16.175 1.00 44.23 H new ATOM 0 HE2 LYS A 56 11.055 -1.426 -16.583 1.00 42.13 H new ATOM 0 HE3 LYS A 56 9.895 -1.700 -17.868 1.00 42.13 H new ATOM 0 HZ1 LYS A 56 12.022 -1.011 -18.740 1.00 4.45 H new ATOM 0 HZ2 LYS A 56 10.843 0.162 -19.085 1.00 4.45 H new ATOM 0 HZ3 LYS A 56 11.967 0.428 -17.840 1.00 4.45 H new ATOM 898 N THR A 57 7.383 -0.407 -12.073 1.00 74.42 N ATOM 899 CA THR A 57 7.830 -1.117 -10.904 1.00 52.12 C ATOM 900 C THR A 57 6.659 -1.877 -10.251 1.00 73.05 C ATOM 901 O THR A 57 6.813 -3.010 -9.804 1.00 33.34 O ATOM 902 CB THR A 57 8.455 -0.124 -9.920 1.00 73.41 C ATOM 903 OG1 THR A 57 9.494 0.585 -10.611 1.00 24.31 O ATOM 904 CG2 THR A 57 9.054 -0.840 -8.725 1.00 50.22 C ATOM 0 H THR A 57 7.386 0.608 -11.968 1.00 74.42 H new ATOM 0 HA THR A 57 8.581 -1.853 -11.192 1.00 52.12 H new ATOM 0 HB THR A 57 7.684 0.555 -9.556 1.00 73.41 H new ATOM 0 HG1 THR A 57 9.910 1.230 -10.002 1.00 24.31 H new ATOM 0 HG21 THR A 57 9.490 -0.109 -8.044 1.00 50.22 H new ATOM 0 HG22 THR A 57 8.274 -1.398 -8.207 1.00 50.22 H new ATOM 0 HG23 THR A 57 9.829 -1.528 -9.064 1.00 50.22 H new ATOM 912 N ALA A 58 5.484 -1.260 -10.245 1.00 52.12 N ATOM 913 CA ALA A 58 4.291 -1.896 -9.695 1.00 54.43 C ATOM 914 C ALA A 58 3.893 -3.078 -10.567 1.00 4.35 C ATOM 915 O ALA A 58 3.456 -4.122 -10.071 1.00 3.32 O ATOM 916 CB ALA A 58 3.147 -0.899 -9.584 1.00 43.45 C ATOM 0 H ALA A 58 5.330 -0.321 -10.614 1.00 52.12 H new ATOM 0 HA ALA A 58 4.515 -2.256 -8.691 1.00 54.43 H new ATOM 0 HB1 ALA A 58 2.269 -1.397 -9.172 1.00 43.45 H new ATOM 0 HB2 ALA A 58 3.441 -0.079 -8.928 1.00 43.45 H new ATOM 0 HB3 ALA A 58 2.910 -0.506 -10.573 1.00 43.45 H new ATOM 922 N LEU A 59 4.057 -2.909 -11.866 1.00 75.24 N ATOM 923 CA LEU A 59 3.823 -3.959 -12.809 1.00 73.14 C ATOM 924 C LEU A 59 4.824 -5.091 -12.576 1.00 22.43 C ATOM 925 O LEU A 59 4.444 -6.248 -12.542 1.00 71.41 O ATOM 926 CB LEU A 59 3.913 -3.425 -14.249 1.00 43.42 C ATOM 927 CG LEU A 59 2.829 -2.449 -14.701 1.00 11.31 C ATOM 928 CD1 LEU A 59 3.197 -1.862 -16.058 1.00 43.20 C ATOM 929 CD2 LEU A 59 1.509 -3.165 -14.825 1.00 52.13 C ATOM 0 H LEU A 59 4.358 -2.030 -12.287 1.00 75.24 H new ATOM 0 HA LEU A 59 2.816 -4.350 -12.666 1.00 73.14 H new ATOM 0 HB2 LEU A 59 4.879 -2.935 -14.368 1.00 43.42 H new ATOM 0 HB3 LEU A 59 3.903 -4.278 -14.927 1.00 43.42 H new ATOM 0 HG LEU A 59 2.747 -1.653 -13.961 1.00 11.31 H new ATOM 0 HD11 LEU A 59 2.421 -1.166 -16.376 1.00 43.20 H new ATOM 0 HD12 LEU A 59 4.148 -1.334 -15.980 1.00 43.20 H new ATOM 0 HD13 LEU A 59 3.287 -2.665 -16.790 1.00 43.20 H new ATOM 0 HD21 LEU A 59 0.742 -2.461 -15.148 1.00 52.13 H new ATOM 0 HD22 LEU A 59 1.597 -3.967 -15.558 1.00 52.13 H new ATOM 0 HD23 LEU A 59 1.231 -3.586 -13.859 1.00 52.13 H new ATOM 941 N LYS A 60 6.097 -4.744 -12.373 1.00 12.14 N ATOM 942 CA LYS A 60 7.128 -5.747 -12.072 1.00 74.10 C ATOM 943 C LYS A 60 6.771 -6.555 -10.834 1.00 21.41 C ATOM 944 O LYS A 60 6.943 -7.757 -10.820 1.00 43.51 O ATOM 945 CB LYS A 60 8.519 -5.118 -11.907 1.00 61.04 C ATOM 946 CG LYS A 60 9.081 -4.472 -13.159 1.00 4.41 C ATOM 947 CD LYS A 60 9.248 -5.479 -14.281 1.00 25.12 C ATOM 948 CE LYS A 60 9.848 -4.827 -15.502 1.00 2.51 C ATOM 949 NZ LYS A 60 10.016 -5.784 -16.614 1.00 43.10 N ATOM 0 H LYS A 60 6.440 -3.784 -12.411 1.00 12.14 H new ATOM 0 HA LYS A 60 7.164 -6.418 -12.930 1.00 74.10 H new ATOM 0 HB2 LYS A 60 8.471 -4.367 -11.119 1.00 61.04 H new ATOM 0 HB3 LYS A 60 9.213 -5.889 -11.571 1.00 61.04 H new ATOM 0 HG2 LYS A 60 8.418 -3.671 -13.485 1.00 4.41 H new ATOM 0 HG3 LYS A 60 10.045 -4.016 -12.932 1.00 4.41 H new ATOM 0 HD2 LYS A 60 9.887 -6.297 -13.949 1.00 25.12 H new ATOM 0 HD3 LYS A 60 8.280 -5.913 -14.533 1.00 25.12 H new ATOM 0 HE2 LYS A 60 9.209 -4.005 -15.825 1.00 2.51 H new ATOM 0 HE3 LYS A 60 10.816 -4.397 -15.245 1.00 2.51 H new ATOM 0 HZ1 LYS A 60 10.431 -5.295 -17.433 1.00 43.10 H new ATOM 0 HZ2 LYS A 60 10.646 -6.556 -16.316 1.00 43.10 H new ATOM 0 HZ3 LYS A 60 9.089 -6.176 -16.878 1.00 43.10 H new ATOM 963 N LYS A 61 6.251 -5.891 -9.811 1.00 40.11 N ATOM 964 CA LYS A 61 5.832 -6.570 -8.583 1.00 2.30 C ATOM 965 C LYS A 61 4.658 -7.507 -8.848 1.00 51.44 C ATOM 966 O LYS A 61 4.602 -8.628 -8.330 1.00 1.40 O ATOM 967 CB LYS A 61 5.452 -5.552 -7.513 1.00 43.13 C ATOM 968 CG LYS A 61 6.597 -4.667 -7.081 1.00 11.42 C ATOM 969 CD LYS A 61 6.151 -3.650 -6.060 1.00 55.34 C ATOM 970 CE LYS A 61 7.311 -2.783 -5.629 1.00 44.13 C ATOM 971 NZ LYS A 61 6.911 -1.766 -4.648 1.00 1.32 N ATOM 0 H LYS A 61 6.107 -4.881 -9.803 1.00 40.11 H new ATOM 0 HA LYS A 61 6.674 -7.164 -8.226 1.00 2.30 H new ATOM 0 HB2 LYS A 61 4.644 -4.926 -7.891 1.00 43.13 H new ATOM 0 HB3 LYS A 61 5.065 -6.081 -6.642 1.00 43.13 H new ATOM 0 HG2 LYS A 61 7.395 -5.280 -6.662 1.00 11.42 H new ATOM 0 HG3 LYS A 61 7.011 -4.155 -7.950 1.00 11.42 H new ATOM 0 HD2 LYS A 61 5.361 -3.027 -6.480 1.00 55.34 H new ATOM 0 HD3 LYS A 61 5.729 -4.158 -5.193 1.00 55.34 H new ATOM 0 HE2 LYS A 61 8.092 -3.411 -5.200 1.00 44.13 H new ATOM 0 HE3 LYS A 61 7.740 -2.293 -6.503 1.00 44.13 H new ATOM 0 HZ1 LYS A 61 7.739 -1.196 -4.382 1.00 1.32 H new ATOM 0 HZ2 LYS A 61 6.185 -1.149 -5.064 1.00 1.32 H new ATOM 0 HZ3 LYS A 61 6.526 -2.232 -3.802 1.00 1.32 H new ATOM 985 N SER A 62 3.744 -7.055 -9.674 1.00 53.10 N ATOM 986 CA SER A 62 2.577 -7.825 -10.028 1.00 10.25 C ATOM 987 C SER A 62 2.974 -9.035 -10.881 1.00 52.02 C ATOM 988 O SER A 62 2.440 -10.133 -10.712 1.00 41.33 O ATOM 989 CB SER A 62 1.598 -6.925 -10.761 1.00 22.23 C ATOM 990 OG SER A 62 1.293 -5.787 -9.953 1.00 74.40 O ATOM 0 H SER A 62 3.790 -6.139 -10.121 1.00 53.10 H new ATOM 0 HA SER A 62 2.097 -8.208 -9.127 1.00 10.25 H new ATOM 0 HB2 SER A 62 2.025 -6.605 -11.711 1.00 22.23 H new ATOM 0 HB3 SER A 62 0.685 -7.475 -10.991 1.00 22.23 H new ATOM 0 HG SER A 62 1.990 -5.108 -10.068 1.00 74.40 H new ATOM 996 N TRP A 63 3.944 -8.838 -11.764 1.00 65.34 N ATOM 997 CA TRP A 63 4.438 -9.900 -12.592 1.00 1.01 C ATOM 998 C TRP A 63 5.302 -10.846 -11.768 1.00 3.04 C ATOM 999 O TRP A 63 5.351 -12.030 -12.023 1.00 44.13 O ATOM 1000 CB TRP A 63 5.208 -9.343 -13.796 1.00 12.44 C ATOM 1001 CG TRP A 63 5.748 -10.402 -14.693 1.00 43.24 C ATOM 1002 CD1 TRP A 63 7.018 -10.864 -14.711 1.00 40.33 C ATOM 1003 CD2 TRP A 63 5.031 -11.152 -15.684 1.00 73.43 C ATOM 1004 NE1 TRP A 63 7.148 -11.847 -15.659 1.00 20.51 N ATOM 1005 CE2 TRP A 63 5.943 -12.045 -16.266 1.00 73.31 C ATOM 1006 CE3 TRP A 63 3.708 -11.152 -16.134 1.00 23.03 C ATOM 1007 CZ2 TRP A 63 5.580 -12.929 -17.278 1.00 44.45 C ATOM 1008 CZ3 TRP A 63 3.352 -12.037 -17.139 1.00 13.34 C ATOM 1009 CH2 TRP A 63 4.286 -12.911 -17.698 1.00 75.02 C ATOM 0 H TRP A 63 4.400 -7.939 -11.917 1.00 65.34 H new ATOM 0 HA TRP A 63 3.591 -10.464 -12.982 1.00 1.01 H new ATOM 0 HB2 TRP A 63 4.549 -8.692 -14.370 1.00 12.44 H new ATOM 0 HB3 TRP A 63 6.032 -8.726 -13.437 1.00 12.44 H new ATOM 0 HD1 TRP A 63 7.814 -10.511 -14.072 1.00 40.33 H new ATOM 0 HE1 TRP A 63 8.009 -12.350 -15.875 1.00 20.51 H new ATOM 0 HE3 TRP A 63 2.980 -10.478 -15.708 1.00 23.03 H new ATOM 0 HZ2 TRP A 63 6.300 -13.605 -17.714 1.00 44.45 H new ATOM 0 HZ3 TRP A 63 2.333 -12.051 -17.496 1.00 13.34 H new ATOM 0 HH2 TRP A 63 3.975 -13.587 -18.480 1.00 75.02 H new ATOM 1020 N LYS A 64 5.961 -10.315 -10.768 1.00 64.31 N ATOM 1021 CA LYS A 64 6.761 -11.115 -9.866 1.00 3.23 C ATOM 1022 C LYS A 64 5.847 -12.091 -9.113 1.00 24.53 C ATOM 1023 O LYS A 64 6.197 -13.248 -8.911 1.00 12.35 O ATOM 1024 CB LYS A 64 7.594 -10.178 -8.939 1.00 44.32 C ATOM 1025 CG LYS A 64 8.560 -10.837 -7.930 1.00 22.10 C ATOM 1026 CD LYS A 64 7.861 -11.439 -6.713 1.00 20.20 C ATOM 1027 CE LYS A 64 7.115 -10.371 -5.918 1.00 14.02 C ATOM 1028 NZ LYS A 64 6.500 -10.915 -4.696 1.00 25.40 N ATOM 0 H LYS A 64 5.960 -9.318 -10.554 1.00 64.31 H new ATOM 0 HA LYS A 64 7.484 -11.724 -10.409 1.00 3.23 H new ATOM 0 HB2 LYS A 64 8.177 -9.511 -9.574 1.00 44.32 H new ATOM 0 HB3 LYS A 64 6.897 -9.556 -8.378 1.00 44.32 H new ATOM 0 HG2 LYS A 64 9.123 -11.620 -8.438 1.00 22.10 H new ATOM 0 HG3 LYS A 64 9.281 -10.093 -7.592 1.00 22.10 H new ATOM 0 HD2 LYS A 64 7.161 -12.209 -7.037 1.00 20.20 H new ATOM 0 HD3 LYS A 64 8.596 -11.925 -6.072 1.00 20.20 H new ATOM 0 HE2 LYS A 64 7.806 -9.571 -5.650 1.00 14.02 H new ATOM 0 HE3 LYS A 64 6.342 -9.927 -6.545 1.00 14.02 H new ATOM 0 HZ1 LYS A 64 5.642 -10.373 -4.468 1.00 25.40 H new ATOM 0 HZ2 LYS A 64 6.249 -11.913 -4.848 1.00 25.40 H new ATOM 0 HZ3 LYS A 64 7.174 -10.844 -3.907 1.00 25.40 H new ATOM 1042 N ARG A 65 4.659 -11.620 -8.742 1.00 35.04 N ATOM 1043 CA ARG A 65 3.663 -12.478 -8.108 1.00 32.24 C ATOM 1044 C ARG A 65 3.167 -13.510 -9.123 1.00 44.23 C ATOM 1045 O ARG A 65 2.951 -14.674 -8.792 1.00 5.35 O ATOM 1046 CB ARG A 65 2.487 -11.641 -7.570 1.00 65.14 C ATOM 1047 CG ARG A 65 1.390 -12.439 -6.868 1.00 24.42 C ATOM 1048 CD ARG A 65 1.930 -13.210 -5.718 1.00 11.23 C ATOM 1049 NE ARG A 65 0.927 -14.095 -5.123 1.00 71.23 N ATOM 1050 CZ ARG A 65 0.972 -14.600 -3.888 1.00 52.11 C ATOM 1051 NH1 ARG A 65 1.982 -14.299 -3.072 1.00 61.33 N ATOM 1052 NH2 ARG A 65 0.006 -15.421 -3.476 1.00 62.22 N ATOM 0 H ARG A 65 4.364 -10.652 -8.869 1.00 35.04 H new ATOM 0 HA ARG A 65 4.120 -12.993 -7.263 1.00 32.24 H new ATOM 0 HB2 ARG A 65 2.878 -10.900 -6.873 1.00 65.14 H new ATOM 0 HB3 ARG A 65 2.041 -11.093 -8.400 1.00 65.14 H new ATOM 0 HG2 ARG A 65 0.611 -11.761 -6.519 1.00 24.42 H new ATOM 0 HG3 ARG A 65 0.924 -13.122 -7.578 1.00 24.42 H new ATOM 0 HD2 ARG A 65 2.783 -13.802 -6.049 1.00 11.23 H new ATOM 0 HD3 ARG A 65 2.297 -12.518 -4.960 1.00 11.23 H new ATOM 0 HE ARG A 65 0.126 -14.347 -5.701 1.00 71.23 H new ATOM 0 HH11 ARG A 65 2.727 -13.679 -3.390 1.00 61.33 H new ATOM 0 HH12 ARG A 65 2.010 -14.689 -2.130 1.00 61.33 H new ATOM 0 HH21 ARG A 65 -0.762 -15.660 -4.103 1.00 62.22 H new ATOM 0 HH22 ARG A 65 0.035 -15.810 -2.534 1.00 62.22 H new ATOM 1066 N TYR A 66 3.016 -13.054 -10.355 1.00 1.00 N ATOM 1067 CA TYR A 66 2.583 -13.869 -11.483 1.00 34.01 C ATOM 1068 C TYR A 66 3.580 -15.034 -11.668 1.00 22.22 C ATOM 1069 O TYR A 66 3.182 -16.185 -11.881 1.00 22.30 O ATOM 1070 CB TYR A 66 2.550 -12.960 -12.716 1.00 33.34 C ATOM 1071 CG TYR A 66 1.839 -13.500 -13.910 1.00 13.43 C ATOM 1072 CD1 TYR A 66 2.494 -14.246 -14.855 1.00 33.41 C ATOM 1073 CD2 TYR A 66 0.499 -13.230 -14.105 1.00 22.51 C ATOM 1074 CE1 TYR A 66 1.835 -14.719 -15.966 1.00 60.45 C ATOM 1075 CE2 TYR A 66 -0.165 -13.700 -15.209 1.00 2.20 C ATOM 1076 CZ TYR A 66 0.507 -14.443 -16.137 1.00 52.22 C ATOM 1077 OH TYR A 66 -0.152 -14.930 -17.242 1.00 41.44 O ATOM 0 H TYR A 66 3.195 -12.082 -10.607 1.00 1.00 H new ATOM 0 HA TYR A 66 1.594 -14.297 -11.321 1.00 34.01 H new ATOM 0 HB2 TYR A 66 2.081 -12.017 -12.435 1.00 33.34 H new ATOM 0 HB3 TYR A 66 3.577 -12.732 -13.002 1.00 33.34 H new ATOM 0 HD1 TYR A 66 3.543 -14.466 -14.725 1.00 33.41 H new ATOM 0 HD2 TYR A 66 -0.035 -12.639 -13.376 1.00 22.51 H new ATOM 0 HE1 TYR A 66 2.365 -15.307 -16.701 1.00 60.45 H new ATOM 0 HE2 TYR A 66 -1.214 -13.484 -15.344 1.00 2.20 H new ATOM 0 HH TYR A 66 0.477 -15.009 -17.990 1.00 41.44 H new ATOM 1087 N GLU A 67 4.876 -14.713 -11.551 1.00 72.21 N ATOM 1088 CA GLU A 67 5.960 -15.708 -11.590 1.00 5.31 C ATOM 1089 C GLU A 67 5.812 -16.661 -10.466 1.00 62.13 C ATOM 1090 O GLU A 67 5.811 -17.865 -10.682 1.00 24.34 O ATOM 1091 CB GLU A 67 7.327 -15.027 -11.481 1.00 11.41 C ATOM 1092 CG GLU A 67 7.621 -14.078 -12.602 1.00 12.54 C ATOM 1093 CD GLU A 67 7.898 -14.773 -13.933 1.00 2.50 C ATOM 1094 OE1 GLU A 67 7.101 -15.625 -14.365 1.00 33.13 O ATOM 1095 OE2 GLU A 67 8.962 -14.495 -14.544 1.00 63.24 O ATOM 0 H GLU A 67 5.204 -13.755 -11.426 1.00 72.21 H new ATOM 0 HA GLU A 67 5.897 -16.238 -12.541 1.00 5.31 H new ATOM 0 HB2 GLU A 67 7.379 -14.486 -10.536 1.00 11.41 H new ATOM 0 HB3 GLU A 67 8.103 -15.792 -11.453 1.00 11.41 H new ATOM 0 HG2 GLU A 67 6.776 -13.400 -12.724 1.00 12.54 H new ATOM 0 HG3 GLU A 67 8.483 -13.468 -12.334 1.00 12.54 H new ATOM 1102 N GLN A 68 5.646 -16.116 -9.278 1.00 22.12 N ATOM 1103 CA GLN A 68 5.527 -16.923 -8.056 1.00 15.10 C ATOM 1104 C GLN A 68 4.434 -17.954 -8.161 1.00 30.03 C ATOM 1105 O GLN A 68 4.671 -19.122 -7.920 1.00 14.10 O ATOM 1106 CB GLN A 68 5.221 -16.059 -6.841 1.00 63.54 C ATOM 1107 CG GLN A 68 6.307 -15.114 -6.420 1.00 43.53 C ATOM 1108 CD GLN A 68 5.865 -14.276 -5.250 1.00 64.24 C ATOM 1109 OE1 GLN A 68 5.311 -13.194 -5.423 1.00 61.22 O ATOM 1110 NE2 GLN A 68 6.066 -14.770 -4.066 1.00 74.31 N ATOM 0 H GLN A 68 5.589 -15.110 -9.121 1.00 22.12 H new ATOM 0 HA GLN A 68 6.492 -17.416 -7.938 1.00 15.10 H new ATOM 0 HB2 GLN A 68 4.322 -15.479 -7.049 1.00 63.54 H new ATOM 0 HB3 GLN A 68 4.991 -16.715 -6.001 1.00 63.54 H new ATOM 0 HG2 GLN A 68 7.201 -15.677 -6.152 1.00 43.53 H new ATOM 0 HG3 GLN A 68 6.576 -14.467 -7.255 1.00 43.53 H new ATOM 0 HE21 GLN A 68 6.530 -15.672 -3.962 1.00 74.31 H new ATOM 0 HE22 GLN A 68 5.760 -14.256 -3.240 1.00 74.31 H new ATOM 1119 N GLU A 69 3.259 -17.538 -8.559 1.00 1.43 N ATOM 1120 CA GLU A 69 2.150 -18.449 -8.611 1.00 63.44 C ATOM 1121 C GLU A 69 2.238 -19.479 -9.726 1.00 74.45 C ATOM 1122 O GLU A 69 1.800 -20.611 -9.548 1.00 10.34 O ATOM 1123 CB GLU A 69 0.801 -17.765 -8.489 1.00 33.44 C ATOM 1124 CG GLU A 69 0.626 -17.098 -7.131 1.00 63.40 C ATOM 1125 CD GLU A 69 -0.767 -16.557 -6.879 1.00 31.22 C ATOM 1126 OE1 GLU A 69 -1.725 -17.368 -6.826 1.00 2.14 O ATOM 1127 OE2 GLU A 69 -0.923 -15.343 -6.647 1.00 0.21 O ATOM 0 H GLU A 69 3.049 -16.583 -8.849 1.00 1.43 H new ATOM 0 HA GLU A 69 2.237 -19.048 -7.705 1.00 63.44 H new ATOM 0 HB2 GLU A 69 0.700 -17.018 -9.277 1.00 33.44 H new ATOM 0 HB3 GLU A 69 0.007 -18.497 -8.640 1.00 33.44 H new ATOM 0 HG2 GLU A 69 0.870 -17.819 -6.351 1.00 63.40 H new ATOM 0 HG3 GLU A 69 1.342 -16.281 -7.045 1.00 63.40 H new